Nicotinuric acid 100mg

CAT: 0628-A13371-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A13371-100Size:100 mg

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CAS Number

583-08-4

Chemical Information

Nicotinuric Acid

N-nicotinoylglycine is an N-acylglycine having nicotinoyl as the acyl substituent. It has a role as a human urinary metabolite.

CAS Number	583-08-4
PubChem CID	68499
IUPAC Name	2-(pyridine-3-carbonylamino)acetic acid
Molecular Formula	C8H8N2O3
Molecular Weight	180.16
XLogP	-0.4
Topological Polar Surface Area	79.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	206

SMILES

C1=CC(=CN=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)

InChIKey

ZBSGKPYXQINNGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 583-08-4

CID: 68499

Formula: C8H8N2O3

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	180.05349212
Monoisotopic Mass	180.05349212
Topological Polar Surface Area	79.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	206
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

Catalog	Name
A13371-5000	Nicotinuric acid 5g
A13371-1000	Nicotinuric acid 1g
A13371-500	Nicotinuric acid 500mg
A13371-10mM-D	Nicotinuric acid 10mM * 1mL in DMSO
A19173-100	Nicotinic acid mononucleotide 100mg
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