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1005558-05-3 | 1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl-
CAS No: 1005558-05-3 Catalog No: AG0002BI MDL No:MFCD04050861
Product Description
Catalog Number:
AG0002BI
Chemical Name:
1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl-
CAS Number:
1005558-05-3
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD04050861
IUPAC Name:
1-ethyl-5-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C7H9N3/c1-3-10-6(2)7(4-8)5-9-10/h5H,3H2,1-2H3
InChI Key:
UUXMDCWZGXWAHL-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CC)C#N
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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