chempirical

2-Amino-3-methoxybenzoic acid

C8H9NO3CAS 3177-80-8167.16 g/mol

Open in Covalent MOL file
OOOHH2N
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
169–170 °C
logP
0.98Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
3177-80-8
SMILES
COc1cccc(C(=O)O)c1N
InChIKey
SXOPCLUOUFQBJV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 2-amino-3-methoxy-
  • m-Anisic acid, 2-amino-
  • 3-Methoxyanthranilic acid
  • 3-Methoxy-2-aminobenzoic acid
  • NSC 81443
  • 2-Amino-3-(methyloxy)benzoic acid

Work with 2-Amino-3-methoxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-Anisic acid579-75-968 % similar 2,3-Dimethoxybenzoic acid1521-38-667 % similar 3-Methoxysalicylic acid877-22-565 % similar 2,3-Diaminobenzoic acid603-81-663 % similar 2,6-Dimethoxybenzoic acid1466-76-860 % similar 2-Amino-3-methylbenzoic acid4389-45-159 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-758 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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