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1568-20-3 | 1H-Pyrazole, 4,5-dihydro-5-methyl-
CAS No: 1568-20-3 Catalog No: AG001P0B MDL No:MFCD09743377
Product Description
Catalog Number:
AG001P0B
Chemical Name:
1H-Pyrazole, 4,5-dihydro-5-methyl-
CAS Number:
1568-20-3
Molecular Formula:
C4H8N2
Molecular Weight:
84.1197
MDL Number:
MFCD09743377
IUPAC Name:
5-methyl-4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h3-4,6H,2H2,1H3
InChI Key:
KDTSAMBCRXSULF-UHFFFAOYSA-N
SMILES:
CC1CC=NN1
Properties
Complexity:
67.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.069g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
84.122g/mol
Monoisotopic Mass:
84.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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