Phthalamic acid

C8H7NO3CAS 88-97-1165.15 g/mol

Open in Covalent MOL file
H2NOOHO
Carboxylic acid

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
Melting point
185–186 °C
logP
1.27Crippen estimate
Polar surface area
81.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
88-97-1
SMILES
N=C(O)c1ccccc1C(=O)O
InChIKey
CYMRPDYINXWJFU-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)

Weigh it out

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Names and synonyms

9 names
  • Phthalamidic acid
  • Benzoic acid, 2-(aminocarbonyl)-
  • 2-(Aminocarbonyl)benzoic acid
  • Phthalamide acid
  • o-Carbamoylbenzoic acid
  • Phthalic acid monoamide
  • Phthalic monoamide
  • 2-Carbamoylbenzoic acid
  • NSC 5344

Work with Phthalamic 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

Phthalamide88-96-074 % similar Phthalic acid88-99-374 % similar Ammonium phthalate523-24-065 % similar Naphthalamic acid5811-88-165 % similar Diphenic acid482-05-359 % similar 2-Acetylbenzoic acid577-56-057 % similar 2-Bromobenzamide4001-73-455 % similar Salicylamide65-45-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6

Elsewhere

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