5-(3-Carboxybenzoyl)-2-hydroxybenzenepropanoic acid
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Basic information
- Standard SMILES
O=C(O)CCc1cc(C(=O)c2cccc(C(=O)O)c2)ccc1O- InChIKey
KZHZVUMMOWZZII-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
Names & identifiers
- Preferred name
- 5-(3-Carboxybenzoyl)-2-hydroxybenzenepropanoic acid
- IUPAC
- 3-[3-(2-carboxyethyl)-4-hydroxybenzoyl]benzoic acid
Names & synonyms
SCHEMBL9445316KZHZVUMMOWZZII-UHFFFAOYSA-N5-(3-Carboxybenzoyl)-2-hydroxybenzenepropanoic acid
Database identifiers
- PubChem CID
- 14739656
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
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Related reactions
3 records
Compound notes
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