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1071814-43-1 | 1-Methyl-1H-pyrazole-5-acetonitrile
CAS No: 1071814-43-1 Catalog No: AG0039AN MDL No:MFCD09859321
Product Description
Catalog Number:
AG0039AN
Chemical Name:
1-Methyl-1H-pyrazole-5-acetonitrile
CAS Number:
1071814-43-1
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD09859321
IUPAC Name:
2-(2-methylpyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C6H7N3/c1-9-6(2-4-7)3-5-8-9/h3,5H,2H2,1H3
InChI Key:
PYXBEBZQSMLHTC-UHFFFAOYSA-N
SMILES:
Cn1nccc1CC#N
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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