Basic information
- CAS
2555-99-9- Standard SMILES
COc1cc(C(=O)O)ccc1Oc1cc(C(=O)O)cc(OC)c1O- InChIKey
LFDSABYJTKMLLF-UHFFFAOYSA-N- Molecular formula
- C16H14O8
- Average molar mass
- 334.28 g/mol
- Monoisotopic mass
- 334.0688674
Names & identifiers
- Preferred name
- Vanillic acid, 5-(4-carboxy-2-methoxyphenoxy)-
- IUPAC
- 3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid
- English name
- Vanillic acid, 5-(4-carboxy-2-methoxyphenoxy)-
- Molecular formula
- C16H14O8
- Molecular weight
- 334.28
Names & synonyms
VANILLIC ACID, 5-(4-CARBOXY-2-METHOXYPHENOXY)-2555-99-93-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acidDTXSID50180245Benzoic acid, 3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxy-
Database identifiers
- CAS
2555-99-9- PubChem CID
- 17366
- DTXSID
DTXSID50180245- Nikkaji
- J1.553.110J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…