Benzoic acid, 3-[(1E)-2-carboxyethenyl]-
Basic information
- CAS
115974-98-6- Standard SMILES
O=C(O)C=Cc1cccc(C(=O)O)c1- InChIKey
KLWPBEWWHJTYDC-UHFFFAOYSA-N- Molecular formula
- C10H8O4
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.04225873
Names & identifiers
- Preferred name
- Benzoic acid, 3-[(1E)-2-carboxyethenyl]-
- IUPAC
- 3-(2-carboxyethenyl)benzoic acid
Names & synonyms
Benzoic acid, 3-[(1E)-2-carboxyethenyl]-115974-98-63-(2-carboxyethenyl)benzoic acidCBDivE_005704SCHEMBL69237DTXSID403536683-(2-Carboxyethen-1-yl)benzoic acid
Database identifiers
- CAS
115974-98-6- PubChem CID
- 747795
- DTXSID
DTXSID40353668
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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