Basic information
- CAS
2134-91-0- Standard SMILES
COc1cc(C(=O)O)cc(C(=O)O)c1O- InChIKey
NLSSJYQPZIQJNC-UHFFFAOYSA-N- Molecular formula
- C9H8O6
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.03208797
Overview
5-Carboxyvanillic acid is a 2-hydroxyisophthalic acid.
Names & identifiers
- Preferred name
- 4-Hydroxy-5-methoxy-1,3-benzenedicarboxylic acid
- IUPAC
- 4-hydroxy-5-methoxybenzene-1,3-dicarboxylic acid
- English name
- 5-Carboxyvanillic acid
- Molecular formula
- C9H8O6
- Molecular weight
- 212.16
Names & synonyms
5-Carboxyvanillic acid2134-91-04-HYDROXY-5-METHOXY-1,3-BENZENEDICARBOXYLIC ACIDDTXSID601756075CVA cpdRefChem:102257DTXCID1098098218-366-74-hydroxy-5-methoxybenzene-1,3-dicarboxylic acid4-Hydroxy-5-methoxyisophthalic acidC9H8O6SCHEMBL7824527
Show more names
4-hydroxy-5-methoxy-benzene-1,3-dicarboxylic acid1,3-Benzenedicarboxylic acid, 4-hydroxy-5-methoxy-
4-Hydroxy-5-methoxyisophthalateCHEBI:81684NLSSJYQPZIQJNC-UHFFFAOYSA-NEINECS 218-366-7FC705513-Carboxy-4-hydroxy-5-methoxybenzoic acidDB-066486NS00026847
Database identifiers
- CAS
2134-91-0- PubChem CID
- 16488
- DTXSID
DTXSID60175607- ChEBI
CHEBI:81684- EC Number
- 218-366-7
- Nikkaji
- J298.721J
Properties
Computed structural properties
- XLogP
- 1.5
- 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
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 278 °C · >278°C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 5-Carboxyvanillic acid is a 2-hydroxyisophthalic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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