2-Hydroxyhippuric acid

C9H9NO4CAS 16555-77-4195.17 g/mol

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OHOHONHO
AlcoholCarboxylic acid

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
208–213 °C
logP
0.39Crippen estimate
Polar surface area
90.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
16555-77-4
SMILES
O=C(O)C(O)N=C(O)c1ccccc1
InChIKey
GCWCVCCEIQXUQU-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)

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Names and synonyms

10 names
  • Acetic acid, 2-(benzoylamino)-2-hydroxy-
  • Hippuric acid, α-hydroxy-
  • Acetic acid, (benzoylamino)hydroxy-
  • 2-(Benzoylamino)-2-hydroxyacetic acid
  • Benzamidohydroxyacetic acid
  • α-Hydroxyhippuric acid
  • 2-Benzamido-2-hydroxyaceticacid
  • 2-Hydroxy-2-(phenylformamido)acetic acid
  • 2-Benzamido-2-hydroxyacetic acid
  • Alpha-Hydroxyhippuric acid

Work with 2-Hydroxyhippuric 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

N-Benzoyl-DL-alanine1205-02-363 % similar N-Benzoyl-L-alanine2198-64-363 % similar (2R,3S)-N-Benzoyl-3-phenylisoserine132201-33-361 % similar Benzoyl-L-phenylalanine2566-22-559 % similar N-Benzoyl-DL-phenylalanine2901-76-059 % similar N-Benzoyl-DL-leucine17966-67-555 % similar Dibenzoylhydrazine787-84-848 % similar N-Benzoyl-L-histidine5354-94-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-7

Elsewhere

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