Salicyluric acid

CAT: 0127-BUP18001-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP18001-01Size:200 mg

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CAS Number

487-54-7

Synonyms

N-Salicyloylglycine, N- (2-Hydroxybenzoyl) glycine, 2-Hydroxy Hippuric Acid

Purity

=98%

Smiles

OC(=O)CNC(=O)C1=C(O)C=CC=C1

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 Number	487-54-7
PubChem CID	10253
IUPAC Name	2-[(2-hydroxybenzoyl)amino]acetic acid
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	0.9
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	229

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

CAS: 487-54-7

CID: 10253

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-113295-01	Salicyluric acid
HY-113295S3	Salicyluric acid-d4
HY-113295R-01	Salicyluric acid (Standard)
RG-H021001-01	Salicyluric Acid; O-Hydroxyhippuric Acid
HY-113295S-01	Salicyluric acid-13C2,15N
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)

Salicyluric acid

Chemical Information

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