Cefazolin Impurity 71

CAT: 1299-RM-C062771-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C062771-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

16034-48-3

Synonyms

2- (1H-pyrazol-1-yl) acetic acid

Molecular Formula

C5H6N2O2

Molecular Weight

126.12

Target Alternative Name

Cefazolin

Product Name Synonym

2- (1H-pyrazol-1-yl) acetic acid

Chemical Information

1H-Pyrazol-1-ylacetic acid

CAS Number	16034-48-3
PubChem CID	3717462
IUPAC Name	2-pyrazol-1-ylacetic acid
Molecular Formula	C5H6N2O2
Molecular Weight	126.11
XLogP	-0.1
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	116

SMILES

C1=CN(N=C1)CC(=O)O

InChI

InChI=1S/C5H6N2O2/c8-5(9)4-7-3-1-2-6-7/h1-3H,4H2,(H,8,9)

InChIKey

LOSKNFQZTWYZHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16034-48-3

CID: 3717462

Formula: C5H6N2O2

MW: 126.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.11
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.042927438
Monoisotopic Mass	126.042927438
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	116
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