Home Other Building Blocks 1-(1H-pyrazol-4-yl)propan-1-one hydrochloride

1-(1H-pyrazol-4-yl)propan-1-one hydrochloride

CAS No.:
1803601-29-7
Catalog Number:
AG01B9L2
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
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Product Description
Catalog Number:
AG01B9L2
Chemical Name:
1-(1H-pyrazol-4-yl)propan-1-one hydrochloride
CAS Number:
1803601-29-7
Molecular Formula:
C6H9ClN2O
Molecular Weight:
160.6015
IUPAC Name:
1-(1H-pyrazol-4-yl)propan-1-one;hydrochloride
InChI:
InChI=1S/C6H8N2O.ClH/c1-2-6(9)5-3-7-8-4-5;/h3-4H,2H2,1H3,(H,7,8);1H
InChI Key:
SSHFZNVUWZIOPV-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c[nH]nc1.Cl
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.601g/mol
Monoisotopic Mass:
160.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties