CAS: 3943-74-6
이름: methyl 4-hydroxy-3-methoxybenzoate
SMILES:
COC1=C(C=CC(=C1)C(=O)OC)OMolecular Processing
Molecular formula
C9H10O4
Molecular weight
182.17
Exact mass
182.0579
XLogP
1.19
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
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
0.222
Molar refractivity
46
Supplementary Information
InChIKey: BVWTXUYLKBHMOX-UHFFFAOYSA-N
동의어
Methyl vanillate3943-74-6Methyl 4-hydroxy-3-methoxybenzoateMethyl 3-methoxy-4-hydroxybenzoateVanillic acid, methyl ester4-Hydroxy-3-methoxybenzoic acid methyl esterBENZOIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER2HXG8QSO3D4-hydroxy-3-methoxy methyl benzoateNSC-74385DTXSID5074345CHEBI:46477RefChem:158055DTXCID6039631223-525-9Vanillic acid methyl esterVanillic acid methylMFCD00008438MethylvanillateVXXEINECS 223-525-9UNII-2HXG8QSO3DNSC 74385BRN 1369113AI3-20212methyl4-hydroxy-3-methoxybenzoateMethyl Vanillic AcidMethyl vanillate, 99%Methyl vanillate (NIST)vanillic acid-methyl ester
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