COC1=C(C=C(C=C1)C(=O)O)O
CAS: 645-08-9
Nombre: 3-hydroxy-4-methoxybenzoic acid
SMILES: COC1=C(C=C(C=C1)C(=O)O)O

Molecular Processing

Molecular formula
C8H8O4
Molecular weight
168.15
Exact mass
168.0423
XLogP
1.1
TPSA
66.76
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
41.62

Supplementary Information

InChIKey: LBKFGYZQBSGRHY-UHFFFAOYSA-N
Sinónimos
3-HYDROXY-4-METHOXYBENZOIC ACIDIsovanillic acid645-08-9Acide isovanillique3-Hydroxy-p-anisic acid3-Hydroxyanisic acidA8D1DUX2PRCHEBI:63798DTXSID40214745RefChem:792443DTXCID70137236211-430-5Benzoic acid, 3-hydroxy-4-methoxy-MFCD00002507p-Anisic acid, 3-hydroxy-3-Hydroxy-4-methoxy-benzoic acidCHEMBL887004-methoxy-3-oxidanyl-benzoic acid74309-78-7EINECS 211-430-5BRN 2208365lsovanillic acid3-Hydroxy-4-Methoxy Benzoic AcidMebeverine Impurity 28Isovanillic acid, 97%UNII-A8D1DUX2PRSCHEMBL180473orb1301509SCHEMBL298834593-hydroxyl-4-methoxybenzoic acid
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