MonosodiuM Maleate Trihydrate
PubChem CID
91658932
Structure
Molecular Formula
Synonyms
- MonosodiuM Maleate Trihydrate
- 3105-55-3
- MFCD10567395
- 33806-74-5
- D91269
Molecular Weight
192.10 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2015-03-20
- Modify:2025-01-18
See also: Monosodium maleate (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
sodium;(Z)-4-hydroxy-4-oxobut-2-enoate;trihydrate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C4H4O4.Na.3H2O/c5-3(6)1-2-4(7)8;;;;/h1-2H,(H,5,6)(H,7,8);;3*1H2/q;+1;;;/p-1/b2-1-;;;;
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
VOWLSUZYJXDGNJ-SQDRRJMKSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C(=C\C(=O)[O-])\C(=O)O.O.O.O.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C4H9NaO7
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
192.10 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
192.02459690 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
192.02459690 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
80.4 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
140
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
1
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
5
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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 Connectivity Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Monosodium maleate (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=VOWLSUZYJXDGNJ-SQDRRJMKSA-M
- SpectraBasemaleic acid, monosodium salt, trihydratehttps://spectrabase.com/spectrum/JpkIjIOCUocMALEIC ACID, MONOSODIUM SALT, TRIHYDRATEhttps://spectrabase.com/spectrum/2Fx3HJ3O1Rimaleic acid, monosodium salt, trihydratehttps://spectrabase.com/spectrum/7tjYtP7bF0omaleic acid, monosodium salt, trihydratehttps://spectrabase.com/spectrum/2ea7JIpxgVi
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- Consumer Product Information Database (CPID)LICENSECopyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://www.whatsinproducts.com/contents/view/1/6Consumer Products Category Classificationhttps://www.whatsinproducts.com/
- EPA Chemicals under the TSCAEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- PATENTSCOPE (WIPO)SID 389035258https://pubchem.ncbi.nlm.nih.gov/substance/389035258
CONTENTS