Home Other Building Blocks 1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one hydrochloride

1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one hydrochloride

CAS No.:
112858-05-6
Catalog Number:
AG01BV45
Molecular Formula:
C6H11ClN2O
Molecular Weight:
162.6173
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Product Description
Catalog Number:
AG01BV45
Chemical Name:
1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one hydrochloride
CAS Number:
112858-05-6
Molecular Formula:
C6H11ClN2O
Molecular Weight:
162.6173
MDL Number:
MFCD30476249
IUPAC Name:
2-propan-2-yl-4H-pyrazol-3-one;hydrochloride
InChI:
InChI=1S/C6H10N2O.ClH/c1-5(2)8-6(9)3-4-7-8;/h4-5H,3H2,1-2H3;1H
InChI Key:
GNSWVVUZQJQXTD-UHFFFAOYSA-N
SMILES:
CC(N1N=CCC1=O)C.Cl
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.056g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.617g/mol
Monoisotopic Mass:
162.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties