Butanedioic acid;2,3-dihydroxypropyl 2-methylprop-2-enoate
PubChem CID
17918167
Structure
Molecular Formula
Synonyms
SCHEMBL3744644
Molecular Weight
278.26 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Component Compounds
Dates
- Create:2007-12-04
- Modify:2025-01-25
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
butanedioic acid;2,3-dihydroxypropyl 2-methylprop-2-enoate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C7H12O4.C4H6O4/c1-5(2)7(10)11-4-6(9)3-8;5-3(6)1-2-4(7)8/h6,8-9H,1,3-4H2,2H3;1-2H2,(H,5,6)(H,7,8)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
YYACLKOGKNTBPM-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(=C)C(=O)OCC(CO)O.C(CC(=O)O)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H18O8
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Compound: 2-Propenoic acid, 2-methyl-, 2,3-dihydroxypropyl ester, homopolymer, hydrogen butanedioate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.26 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
8
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
278.10016753 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
278.10016753 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
141 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
245
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
1
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 2019.01.04)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-Propenoic acid, 2-methyl-, 2,3-dihydroxypropyl ester, homopolymer, hydrogen butanedioatehttps://commonchemistry.cas.org/detail?cas_rn=870752-24-2
- PubChem
CONTENTS