I+/--Cyano-3-hydroxybenzenepropanoic acid
Basic information
- CAS
54673-08-4- Standard SMILES
N#CC(Cc1cccc(O)c1)C(=O)O- InChIKey
OSTCDJQBUDNBEX-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- I+/--Cyano-3-hydroxybenzenepropanoic acid
- IUPAC
- 2-cyano-3-(3-hydroxyphenyl)propanoic acid
Names & synonyms
SCHEMBL11805862DTXSID001284429AKOS00631549154673-08-4I+/--Cyano-3-hydroxybenzenepropanoic acid2-cyano-3-(3-hydroxyphenyl)propanoic acid
Database identifiers
- CAS
54673-08-4- PubChem CID
- 21567097
- DTXSID
DTXSID001284429
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…