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1006471-43-7 | 1H-Pyrazole-4-carbonitrile, 1-ethyl-3-methyl-
CAS No: 1006471-43-7 Catalog No: AG0002KK MDL No:MFCD04969707
Product Description
Catalog Number:
AG0002KK
Chemical Name:
1H-Pyrazole-4-carbonitrile, 1-ethyl-3-methyl-
CAS Number:
1006471-43-7
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD04969707
IUPAC Name:
1-ethyl-3-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3/c1-3-10-5-7(4-8)6(2)9-10/h5H,3H2,1-2H3
InChI Key:
JMCHQKIBVJRNIP-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1C)CC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.08g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.17g/mol
Monoisotopic Mass:
135.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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