Home Other Building Blocks 2-(1H-pyrazol-4-yl)acetic acid hydrochloride

2-(1H-pyrazol-4-yl)acetic acid hydrochloride

CAS No.:
1965310-29-5
Catalog Number:
AG01EK70
Molecular Formula:
C5H7ClN2O2
Molecular Weight:
162.5743
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Product Description
Catalog Number:
AG01EK70
Chemical Name:
2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CAS Number:
1965310-29-5
Molecular Formula:
C5H7ClN2O2
Molecular Weight:
162.5743
MDL Number:
MFCD30181943
IUPAC Name:
2-(1H-pyrazol-4-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-7-3-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H
InChI Key:
IPNJYJRCWYVYGT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]nc1.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.02g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
162.573g/mol
Monoisotopic Mass:
162.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties