Alpha-Hydroxyhippuric acid

CAT: 0926-FH158929-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FH158929-02Size:50 g

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CAS Number

16555-77-4

MDL Number

MFCD00004228

Smiles

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

Molecular Formula

C9H9NO4

Molecular Weight

195.17 g/mol

Controlled

Chemical Information

Alpha-Hydroxyhippuric acid

Alpha-hydroxyhippuric acid is an N-acyl-amino acid that is N-benzoylglycine substituted by a hydroxy group at C-2. It has a role as a human urinary metabolite. It is a secondary carboxamide, a N-acyl hemiaminal and a N-acyl-amino acid. It is functionally related to a N-benzoylglycine.

CAS Number	16555-77-4
PubChem CID	450272
IUPAC Name	2-benzamido-2-hydroxyacetic acid
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	0.2
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	223

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)

InChIKey

GCWCVCCEIQXUQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16555-77-4

CID: 450272

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	0.2
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	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
FH75079-01	3-Hydroxyhippuric acid
FH49375-01	P-Hydroxyhippuric acid
FH24019-01	2-Hydroxyhippuric acid
FD83335	Alpha, alpha-Difluorophenylacetic acid
FB76685-01	Alpha -Boswellic acid
GAA25830	4-Chloro-alpha, alpha-dimethylphenylacetic acid
YCA79014-01	Alpha, alpha-Difluoro-1-naphthaleneacetic acid
FH30652-01	DL-alpha-Hydroxypalmitic acid
FA48876-01	Z-alpha-aminoisobutyric acid
FM108353-01	Alpha-MSH (free acid)

Alternative Products

Catalog	Name
sc-227166	α-Hydroxyhippuric acid
T14031	3-Hydroxyhippuric acid
TRC-H827810-1G	4-Hydroxyhippuric Acid
45603121	2-Hydroxyhippuric acid
574323	p-Hydroxyhippuric acid
sc-490566	M-Hydroxyhippuric Acid
RG-H021001-01	Salicyluric Acid; O-Hydroxyhippuric Acid
241143-01	P-Hydroxyhippuric acid 99+%
A18833-100	3-Hydroxyhippuric acid 100mg
HY-113158R-01	4-Hydroxyhippuric acid (Standard)

Alpha-Hydroxyhippuric acid

Chemical Information

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