Basic information
- CAS
7595-98-4- Standard SMILES
COc1c(O)ccc(C(=O)O)c1N- InChIKey
DQLZIYCAOSTKEV-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 2-Amino-4-hydroxy-3-methoxybenzoic acid
- IUPAC
- 2-amino-4-hydroxy-3-methoxybenzoic acid
- English name
- 2-Aminovanillic acid
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
2-amino-4-hydroxy-3-methoxybenzoic acid7595-98-4DTXSID20324619RefChem:255566DTXCID00275736Amino-vanillinsaureNSC407247SCHEMBL18677627NSC-4072472-Aminovanillic acidBenzoic acid, 2-amino-4-hydroxy-3-methoxy-
Database identifiers
- CAS
7595-98-4- PubChem CID
- 348134
- DTXSID
DTXSID20324619
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 186.5 · 186.5-187.5 °C
- Boiling point
- 391.4 · 391.4±42.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 5.19 · 5.19±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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