Basic information
- Standard SMILES
Cc1cccc(C(C=O)C(=O)O)c1- InChIKey
YRLRFENNKNUWKH-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
Names & identifiers
- Preferred name
- (3-Methylphenyl)-3-oxo-propanoic acid
- IUPAC
- 2-(3-methylphenyl)-3-oxopropanoic acid
Names & synonyms
SCHEMBL8472224YRLRFENNKNUWKH-UHFFFAOYSA-N(3-methylphenyl)-3-oxo-propanoic acid
Database identifiers
- PubChem CID
- 22600148
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
1 records
Compound notes
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