Basic information
- CAS
5330-25-6- Standard SMILES
CC(=O)Oc1ccc(O)c(C(=O)O)c1- InChIKey
PALBHIQJXKCCQX-UHFFFAOYSA-N- Molecular formula
- C9H8O5
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.03717335
Names & identifiers
- Preferred name
- 5-(Acetyloxy)-2-hydroxybenzoic acid
- IUPAC
- 5-acetyloxy-2-hydroxybenzoic acid
Names & synonyms
5330-25-65-(acetyloxy)-2-hydroxybenzoic acidNSC24465-ACETOXY-2-HYDROXYBENZOIC ACIDSCHEMBL344841SCHEMBL31364552DTXSID80277470NSC-2446
Database identifiers
- CAS
5330-25-6- PubChem CID
- 220144
- DTXSID
DTXSID80277470
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…