4-(Aminocarbonyl)benzoic acid

C₈H₇NO₃CAS 6051-43-0165.15 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₈H₇NO₃
Molar mass: 165.15 g/mol
Exact mass: 165.0426 Da
Melting point: 208 °C
logP: 0.48Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6051-43-0

SMILES

NC(=O)c1ccc(C(=O)O)cc1

InChIKey

JMHSCWJIDIKGNZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 4-(aminocarbonyl)-
Terephthalamic acid
p-Carbamoylbenzoic acid
4-Carbamoylbenzoic acid
p-Carboxybenzamide

Work with 4-(Aminocarbonyl)benzoic 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

Terephthalic acid100-21-071 % similar Terephthalamide3010-82-067 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-663 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-463 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar 4-Aminobenzoic acid150-13-062 % similar 4,4′-Oxybis[benzoic acid]2215-89-658 % similar 4-Hydroxybenzamide619-57-858 % 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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