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C10H11NO3CAS 3440-28-6193.20 g/mol

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OHONHO
Carboxylic acid

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
120 °C
logP
1.47Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
3440-28-6
SMILES
O=C(O)CCN=C(O)c1ccccc1
InChIKey
CWXYHOHYCJXYFQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

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Names and synonyms

11 names
  • β-Alanine, N-benzoyl-
  • N-Benzoyl-β-alanine
  • 3-Benzamidopropionic acid
  • 3-(Benzoylamino)propionic acid
  • Benzoyl-β-alanine
  • 3-(Benzoylamino)propanoic acid
  • N-Benzoyl-β-aminopropionic acid
  • CS 443
  • NSC 192714
  • 3-Benzamidopropanoicacid
  • 3-Benzamidopropanoic acid

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Similar compounds

Methenamine hippurate5714-73-862 % similar N-(2-Chloroethyl)benzamide26385-07-957 % similar 4-[(3-Pyridinylcarbonyl)amino]butanoic acid34562-97-557 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-154 % similar N-(Hydroxymethyl)benzamide6282-02-653 % similar N-Benzylbenzamide1485-70-751 % similar δ-Oxobenzenepentanoic acid1501-05-951 % similar 5-Benzoylvaleric acid4144-62-151 % 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 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4

Elsewhere

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