chempirical

N-Acetylanthranilic acid

C9H9NO3CAS 89-52-1179.17 g/mol

Open in Covalent MOL file
OHNOOH
Carboxylic acid

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
Melting point
184–187 °C
logP
1.99Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
89-52-1
SMILES
CC(O)=Nc1ccccc1C(=O)O
InChIKey
QSACCXVHEVWNMX-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 2-(acetylamino)-
  • Anthranilic acid, N-acetyl-
  • 2-(Acetylamino)benzoic acid
  • o-(Acetylamino)benzoic acid
  • 2-Acetamidobenzoic acid
  • 2-Carboxyacetanilide
  • o-Acetamidobenzoic acid
  • 1-Acetylamino-2-carboxybenzene
  • o-(N-Acetylamino)benzoic acid
  • NSC 17831
  • NSC 4000

Work with N-Acetylanthranilic 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

2′-Benzoylacetanilide85-99-464 % similar 2-(Acetylamino)-4-fluorobenzoic acid394-27-461 % similar 2-Acetoacetylaminobenzoic acid35354-86-059 % similar 2-(Acetylamino)-6-chlorobenzoic acid19407-42-258 % similar Phthalic acid88-99-355 % similar N-(2-Methylphenyl)acetamide120-66-153 % similar 2-Acetylbenzoic acid577-56-053 % similar N-(2-Bromophenyl)acetamide614-76-653 % similar

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

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

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