Phenylglyoxylic Acid

CAT: 0024-sc-212553Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-212553Size:5 g

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CAS Number

611-73-4

Chemical Information

Phenylglyoxylic Acid

Phenylglyoxylic acid is a 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group. It has a role as a biomarker and a human xenobiotic metabolite. It is functionally related to a glyoxylic acid. It is a conjugate acid of a phenylglyoxylate.

CAS Number	611-73-4
PubChem CID	11915
IUPAC Name	2-oxo-2-phenylacetic acid
Molecular Formula	C8H6O3
Molecular Weight	150.13
XLogP	1.3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	168

SMILES

C1=CC=C(C=C1)C(=O)C(=O)O

InChI

InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)

InChIKey

FAQJJMHZNSSFSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 611-73-4

CID: 11915

Formula: C8H6O3

MW: 150.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	150.13
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	150.031694049
Monoisotopic Mass	150.031694049
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	168
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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FP26975-01	Phenylglyoxylic acid
HY-W010255R-01	Phenylglyoxylic acid (Standard)
OR1037794-01	Phenylglyoxylic acid (sodium)
102590 100	Benzoylformic acid- (Phenylglyoxylic acid)
HY-W010255S	Phenylglyoxylic acid-d5
TRC-P327504-1MG	Phenylglyoxylic Acid-13C8

Phenylglyoxylic Acid

Chemical Information

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