chempirical

3-Aminophthalic acid

C8H7NO4CAS 5434-20-8181.15 g/mol

Open in Covalent MOL file
H2NOOHOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
185–186 °C
logP
0.67Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
5434-20-8
SMILES
Nc1cccc(C(=O)O)c1C(=O)O
InChIKey
WGLQHUKCXBXUDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)

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

Names and synonyms

5 names
  • 1,2-Benzenedicarboxylic acid, 3-amino-
  • Phthalic acid, 3-amino-
  • 3-Amino-1,2-benzenedicarboxylic acid
  • o-Aminophthalic acid
  • NSC 15741

Work with 3-Aminophthalic 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

3-Aminophthalic acid hydrochloride6946-22-190 % similar Hemimellitic acid569-51-770 % similar Anthranilic acid118-92-369 % similar 2,3-Diaminobenzoic acid603-81-668 % similar 2-Amino-6-chlorobenzoic acid2148-56-366 % similar 3-Amino-2-methylbenzoic acid52130-17-366 % similar 3-Aminosalicylic acid570-23-066 % similar 2-(2-Aminobenzoyl)benzoic acid1147-43-959 % similar

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

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-Methyl 2,5-pyridinedicarboxylate17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

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