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66121-72-0 | 1-Methyl-1H-pyrazole-5-carbonitrile
CAS No: 66121-72-0 Catalog No: AG0032SR MDL No:MFCD09701708
Product Description
Catalog Number:
AG0032SR
Chemical Name:
1-Methyl-1H-pyrazole-5-carbonitrile
CAS Number:
66121-72-0
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD09701708
IUPAC Name:
2-methylpyrazole-3-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-8-5(4-6)2-3-7-8/h2-3H,1H3
InChI Key:
WMZMVWZFGUVSTA-UHFFFAOYSA-N
SMILES:
Cn1nccc1C#N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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