α-Hydroxyhippuric acid - CAS 16555-77-4

Catalog:	BB012201
Product Name:	α-Hydroxyhippuric acid
CAS:	16555-77-4
Synonyms:	2-benzamido-2-hydroxyacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-benzamido-2-hydroxyacetic acid
Description:	α-Hydroxyhippuric acid (CAS# 16555-77-4) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	C1=CC=C(C=C1)C(=O)NC(C(=O)O)O
InChI:	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)
InChI Key:	GCWCVCCEIQXUQU-UHFFFAOYSA-N
Density:	1.325 g/cm³
Appearance:	Solid
MDL:	MFCD00004228
LogP:	0.21030

Publication Number	Title	Priority Date
US-2021189499-A1	Urinary metabolomic biomarkers for detecting colorectal cancer and polyps	20191223
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
US-2019391092-A1	Metabolic profiling with magnetic resonance mass spectrometry (mrms)	20180621
US-2019310269-A1	Systems and methods for measuring obesity using metabolome analysis	20180404
WO-2019055718-A1	METABOLOMIC REVISION OF MAMMALIAN INFANTS	20170913

PMID	Publication Date	Title	Journal
22624806	20120706	Urinary metabolite variation is associated with pathological progression of the post-hepatitis B cirrhosis patients	Journal of proteome research
19604476	20090715	Amidation of bioactive peptides: the structure of the lyase domain of the amidating enzyme	Structure (London, England : 1993)
18254962	20080206	Complex aetiology of an apparently Mendelian form of mental retardation	BMC medical genetics
16704972	20060728	Role for an essential tyrosine in peptide amidation	The Journal of biological chemistry
14656531	20031215	An enzyme-coupled assay for glyoxylic acid	Analytical biochemistry

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	3
Topological Polar Surface Area:	86.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2