ChemicalBook--->CAS DataBase List--->16555-77-4

16555-77-4

16555-77-4 Structure

16555-77-4 Structure
IdentificationBack Directory
[Name]

ALPHA-HYDROXYHIPPURIC ACID
[CAS]

16555-77-4
[Synonyms]

TIMTEC-BB SBB000336
A-HYDROXYHIPPURIC ACID
2-benzamidooxyacetic acid
N-Benzoyl-2-hydroxyglycine
ALPHA-HYDROXYHIPPURIC ACID
alpha-hydroxybenzoylglycine
alpha-Hydroxyhippuric acid,98%
alpha-Hydroxyhippuric acid 98%
2-Hydroxy-N-benzoylhippuric acid
(benzoylamino)hydroxyacetic acid
[EINECS(EC#)]

240-619-5
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD00004228
[MOL File]

16555-77-4.mol
[Molecular Weight]

195.17
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow crystalline powder
[Melting point ]

211 °C (dec.)(lit.)
[Boiling point ]

331.83°C (rough estimate)
[density ]

1.3544 (rough estimate)
[refractive index ]

1.5700 (estimate)
[storage temp. ]

2-8°C
[pka]

3.36±0.10(Predicted)
[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)
[InChIKey]

GCWCVCCEIQXUQU-UHFFFAOYSA-N
[SMILES]

OC(NC(=O)c1ccccc1)C(O)=O
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow crystalline powder
[Uses]

α-Hydroxyhippuric acid was used in the synthesis of benzamide by the enzyme-catalyzed dealkylation reaction.
[Definition]

ChEBI: Alpha-hydroxyhippuric acid is an N-acyl-amino acid that is N-benzoylglycine substituted by a hydroxy group at C-2. It has a role as a human urinary metabolite. It is a N-acyl-amino acid, a secondary carboxamide and a N-acyl hemiaminal. It is functionally related to a N-benzoylglycine.
[General Description]

α-Hydroxyhippuric acid, nonpeptidic substrate, forms complex with peptidyl-α-hydroxyglycine α-amidating lyase catalytic core.
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

ALPHA-HYDROXYHIPPURIC ACID(16555-77-4)MS
ALPHA-HYDROXYHIPPURIC ACID(16555-77-4)1HNMR
ALPHA-HYDROXYHIPPURIC ACID(16555-77-4)13CNMR
ALPHA-HYDROXYHIPPURIC ACID(16555-77-4)IR1
ALPHA-HYDROXYHIPPURIC ACID(16555-77-4)IR2
ALPHA-HYDROXYHIPPURIC ACID(16555-77-4)Raman
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