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Actarit

C10H11NO3CAS 18699-02-0193.20 g/mol

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OHNOOH
Carboxylic acid

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
173 °C
logP
1.92Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
18699-02-0
SMILES
CC(O)=Nc1ccc(CC(=O)O)cc1
InChIKey
MROJXXOCABQVEF-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

10 names
  • Benzeneacetic acid, 4-(acetylamino)-
  • Acetic acid, (p-acetamidophenyl)-
  • 4-(Acetylamino)benzeneacetic acid
  • 4-(N-Acetylamino)phenylacetic acid
  • p-Acetamidophenylacetic acid
  • MS 932
  • 4-(Acetylamino)phenylacetic acid
  • (4-Acetamidophenyl)acetic acid
  • NSC 170317
  • 2-(4-Acetamidophenyl)acetic acid

Work with Actarit

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

1,4-Benzenediacetic acid7325-46-462 % similar N,N′-Diacetyl-P-phenylenediamine140-50-159 % similar N-[4-(Chloromethyl)phenyl]acetamide54777-65-057 % similar 4-Bromophenylacetic acid1878-68-856 % similar P-Tolylacetic acid622-47-956 % similar 4-(Methylthio)benzeneacetic acid16188-55-956 % similar 4-Hydroxyphenylacetic acid156-38-753 % similar N-(4-Acetylphenyl)acetamide2719-21-353 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 N-Acetyl-dl-phenylglycine15962-46-6 3,4,5-Trimethoxybenzonitrile1885-35-4 N-Benzoyl-L-alanine2198-64-3

Elsewhere

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