Home Other Building Blocks 5,6-Dihydro-4(1H)-cyclopentapyrazolone

5,6-Dihydro-4(1H)-cyclopentapyrazolone

CAS No.:
596844-18-7
Catalog Number:
AG003A3Q
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
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Product Description
Catalog Number:
AG003A3Q
Chemical Name:
5,6-Dihydro-4(1H)-cyclopentapyrazolone
CAS Number:
596844-18-7
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD13816234
IUPAC Name:
5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
InChI:
InChI=1S/C6H6N2O/c9-6-2-1-5-4(6)3-7-8-5/h3H,1-2H2,(H,7,8)
InChI Key:
FBAMWFMIJZIVKS-UHFFFAOYSA-N
SMILES:
C1CC(=O)c2c1[nH]nc2
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties