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C9H9NO3CAS 556-08-1179.17 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
Density
1.41 g/mL
Melting point
260 °C (decomposes)
Water solubility
< 1 g/L (21.1 °C)
logP
1.99Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 15 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
556-08-1
SMILES
CC(O)=Nc1ccc(C(=O)O)cc1
InChIKey
QCXJEYYXVJIFCE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)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 and density.

Names and synonyms

11 names
  • Benzoic acid, 4-(acetylamino)-
  • Benzoic acid, p-acetamido-
  • 4-(Acetylamino)benzoic acid
  • p-(Acetoamino)benzoic acid
  • p-Acetamidobenzoic acid
  • 4-Acetamidobenzoic acid
  • p-(Acetylamino)benzoic acid
  • N-Acetyl-p-aminobenzoic acid
  • 4′-Carboxyacetanilide
  • p-Acetaminobenzoic acid
  • NSC 4002

Work with Acedoben

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol61990-51-0Salt

Similar compounds

N-(4-Acetylphenyl)acetamide2719-21-368 % similar N,N'-Diacetyl-p-phenylenediamine140-50-165 % similar 3-Acetamidobenzoic acid587-48-465 % similar 4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-462 % similar p-Chloroacetylacetanilide140-49-858 % similar Terephthalic acid100-21-058 % similar 4-Acetamidosalicylic acid50-86-257 % similar 5-Acetamidoanthranilic acid50670-83-255 % 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 3′-Nitropropiophenone17408-16-1 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-3-(2-nitrovinyl)benzene3179-09-7

Elsewhere

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