2-Propenoic acid, calcium salt (2:1)
PubChem CID
165442
Structure
Molecular Formula
Synonyms
- Calcium acrylate
- Calcium diacrylate
- 6292-01-9
- calcium;prop-2-enoate
- 2-Propenoic acid, calcium salt
Molecular Weight
182.19 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
calcium;prop-2-enoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/2C3H4O2.Ca/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
TXTCTCUXLQYGLA-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C=CC(=O)[O-].C=CC(=O)[O-].[Ca+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H6CaO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
6292-01-9
79-10-7 (Parent)
80501-26-4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
182.19 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
181.9891995 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
181.9891995 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
80.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
50.4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Liquid
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Intermediate
Aggregated Product Volume
2019: 7,400,000 lb
2018: 9,100,000 lb
2017: 1,000,000 lb
Industry Processing Sectors
All Other Basic Organic Chemical Manufacturing
EPA TSCA Commercial Activity Status
2-Propenoic acid, calcium salt (2:1): ACTIVE
The Australian Inventory of Industrial Chemicals
Chemical: 2-Propenoic acid, calcium salt
- Australian Industrial Chemicals Introduction Scheme (AICIS)2-Propenoic acid, calcium salthttps://services.industrialchemicals.gov.au/search-inventory/
- ChemIDplus2-Propenoic acid, calcium salt (2:1)https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006292019ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemical Data Reporting (CDR)LICENSEThe U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright2-Propenoic acid, calcium salt (2:1)https://www.epa.gov/chemical-data-reporting
- EPA Chemicals under the TSCA2-Propenoic acid, calcium salt (2:1)https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxCalcium diacrylatehttps://comptox.epa.gov/dashboard/DTXSID5064203CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice
- EPA Chemical and Products Database (CPDat)Calcium diacrylatehttps://comptox.epa.gov/dashboard/DTXSID5064203#exposureEPA CPDat Classificationhttps://www.epa.gov/chemical-research/chemical-and-products-database-cpdat
- Japan Chemical Substance Dictionary (Nikkaji)
- Natural Product Activity and Species Source (NPASS)
- SpectraBaseacrylic acid, calcium salthttps://spectrabase.com/spectrum/G9sSsV4K8fpACRYLIC ACID, CALCIUM SALThttps://spectrabase.com/spectrum/AhQezc8VxDr
- WikidataCalcium diacrylatehttps://www.wikidata.org/wiki/Q81991335
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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