Calcium dioxido(oxo)titanium
PubChem CID
16212381
Structure
Molecular Formula
Synonyms
- Calcium titanate
- 12049-50-2
- Perovskite
- calcium;dioxido(oxo)titanium
- Calcium dioxido(oxo)titanium
Molecular Weight
135.94 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2007-07-12
- Modify:2025-01-18
Description
Perovskite is a mineral with formula of CaTi4+O3 or CaTiO3. The IMA symbol is Prv.
See also: Calcium titanate (annotation moved to).
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt
calcium;dioxido(oxo)titanium
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/Ca.3O.Ti/q+2;;2*-1;
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
AOWKSNWVBZGMTJ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
[O-][Ti](=O)[O-].[Ca+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
CaO3Ti
Computed by PubChem 2.2 (PubChem release 2021.10.14)
12049-50-2
calcium titanate
- Calcium titanate
- 12049-50-2
- Perovskite
- calcium;dioxido(oxo)titanium
- Calcium dioxido(oxo)titanium
- DTXSID60583622
- calcium pertitanate
- Calcium Titanium Oxide (Metals Basis)
- Calcium Titanate Nanopowder
- DTXCID70534387
- MFCD00015981
- Q4346070
- Calcium titanate, nanopowder, <100 nm particle size (BET), 99% trace metals basis
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
135.94 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
3
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
135.8952754 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
135.8952754 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
63.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
5
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
18.8
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Skin protecting
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118
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.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Calcium titanate (annotation moved to)
Name
perovskite
Link
Name
Formula
CaTi4+O3 or CaTiO3
IMA Symbol
Prv
PDF Link
Crystal Structure Data Link
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
Cosmetics -> Skin protecting
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AOWKSNWVBZGMTJ-UHFFFAOYSA-N
- Athena MineralsLICENSECopyright (c) ATHENA - Pierre Perroud. All Rights Reserved
- Handbook of Mineralogy
- RRUFF ProjectPerovskitehttps://rruff.info/Perovskite
- EPA Chemical and Products Database (CPDat)Calcium dioxido(oxo)titaniumhttps://comptox.epa.gov/dashboard/DTXSID60583622#exposureEPA CPDat Classificationhttps://www.epa.gov/chemical-research/chemical-and-products-database-cpdat
- EPA DSSToxCalcium dioxido(oxo)titaniumhttps://comptox.epa.gov/dashboard/DTXSID60583622CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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/
- SpectraBaseTAM CALCIUM TITANATEhttps://spectrabase.com/spectrum/2C8dXG1huSqTAM CALCIUM TITANATEhttps://spectrabase.com/spectrum/FJtQ2SMexDVcalcium titanatehttps://spectrabase.com/spectrum/EkDYeUoAQrctam calcium titanatehttps://spectrabase.com/spectrum/ES5tTTot2rkCALCIUM TITANATEhttps://spectrabase.com/spectrum/HN0mwi4DAo3TAM CALCIUM TITANATEhttps://spectrabase.com/spectrum/8DhCgDtjSf6
- Springer Nature
- Wikidatacalcium titanatehttps://www.wikidata.org/wiki/Q4346070
- WikipediaPerovskitehttps://en.wikipedia.org/wiki/Perovskite
- Wiley
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlcalcium titanatehttps://www.ncbi.nlm.nih.gov/mesh/2002824
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- EPA Chemicals under the TSCAEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- PATENTSCOPE (WIPO)SID 403381525https://pubchem.ncbi.nlm.nih.gov/substance/403381525
CONTENTS