COC1=C(C=C(C(=C1)C(=O)OC)N)OC
CAS: 26759-46-6
Name: methyl 2-amino-4,5-dimethoxybenzoate
SMILES: COC1=C(C=C(C(=C1)C(=O)OC)N)OC

Molecular Processing

Molecular formula
C10H13NO4
Molecular weight
211.22
Exact mass
211.0845
XLogP
1.07
TPSA
70.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
55.3

Supplementary Information

InChIKey: QQFHCCQSCQBKBG-UHFFFAOYSA-N
Synonyme
26759-46-6Methyl 4,5-dimethoxyanthranilateBenzoic acid, 2-amino-4,5-dimethoxy-, methyl esterEINECS 247-967-7DTXSID60181268RefChem:815694DTXCID70103759247-967-7Methyl 2-amino-4,5-dimethoxybenzoateMethyl 6-aminoveratrateMFCD000149046-Aminoveratric acid methyl ester2-Amino-4,5-dimethoxybenzoic Acid Methyl Estermethyl 2-amino-4,5-dimethoxy benzoate4,5-dimethoxyanthranilic acid methylmethyl 2-amino-4,5-dimethoxy-benzoateEntacapone Impurity 106Oprea1_336521CBDivE_002314MLS000078212SCHEMBL372600CHEMBL1506549SCHEMBL31408659HMS2303D08ALBB-005913Methyl 2-amino-45-dimethoxybenzoateSBB008554STK386807methyl 3,4-dimethoxy-6-aminobenzoatemethyl-2-amino-4,5-dimethoxybenzoate
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