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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
hippuric acid

Inventory

EC number:
207-806-3
EC name:
Hippuric acid
CAS number:
495-69-2
CAS number:
495-69-2
Synonyms
Names:
Glycine, N-benzoyl-
Identifier:
IUPAC name
2-(phenylformamido)acetic acid
Identifier:
IUPAC name
Hippuric acid
Identifier:
IUPAC name
N-Benzoylglycine
Identifier:
other: InChl
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Identifier:
other: InChl
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Identifier:
other: SMILES notation
OC(=O)CNC(=O)C1=CC=CC=C1
Identifier:
other: SMILES notation
c1ccc(cc1)C(=O)NCC(=O)O
N-benzoylglycine

Molecular and structural information

Molecular formula:
C9H9NO3
Molecular weight:
179.173
SMILES notation:
OC(=O)CNC(=O)c1ccccc1
InChl:
InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Structural formula:
Chemical structure

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