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2-Hydroxyhippuric acid

CAT: 0926-FH24019-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FH24019-02Size:10 g
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CAS Number
487-54-7
Synonyms
N- (2-Hydroxybenzoyl) glycine; o-Hydroxy-hippuric acid; Salicyluric acid
MDL Number
MFCD00002695
Smiles
C1=CC=C (C (=C1) C (=O) NCC (=O) O) O
Molecular Formula
C9H9NO4
Molecular Weight
195.17 g/mol
Controlled
No

Chemical Information

Salicyluric Acid

Salicyluric acid is an N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. It has a role as a uremic toxin and a human xenobiotic metabolite. It is a secondary carboxamide and a N-acylglycine. It is functionally related to a glycine. It is a conjugate acid of a salicylurate.

CAS Number487-54-7
PubChem CID10253
IUPAC Name2-[(2-hydroxybenzoyl)amino]acetic acid
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP0.9
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity229
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)O
InChI
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKey
ONJSZLXSECQROL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salicyluric Acid
CAS: 487-54-7
CID: 10253
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area86.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
456031212-Hydroxyhippuric acid
sc-227166α-Hydroxyhippuric acid
H90822-Hydroxyhippuric Acid (Salicylglycine)
T140313-Hydroxyhippuric acid
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sc-490566M-Hydroxyhippuric Acid
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