Basic information
- CAS
63035-28-9- Standard SMILES
COc1cc(C(=O)O)c(C(=O)O)cc1O- InChIKey
OFECJXVRRIHUSC-UHFFFAOYSA-N- Molecular formula
- C9H8O6
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.03208797
Names & identifiers
- Preferred name
- 6-Carboxyvanillic acid
- IUPAC
- 4-hydroxy-5-methoxyphthalic acid
Names & synonyms
6-CARBOXYVANILLIC ACID63035-28-9DTXSID10212319RefChem:1073851DTXCID601348104-hydroxy-5-methoxybenzene-1,2-dicarboxylic acidSCHEMBL29191828
Database identifiers
- CAS
63035-28-9- PubChem CID
- 44337
- DTXSID
DTXSID10212319- Nikkaji
- J1.622.412J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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