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3984-53-0 | 1H-Imidazole-2-acetonitrile,1-methyl-(9CI)
CAS No: 3984-53-0 Catalog No: AG00CM58 MDL No:MFCD01646154
Product Description
Catalog Number:
AG00CM58
Chemical Name:
1H-Imidazole-2-acetonitrile,1-methyl-(9CI)
CAS Number:
3984-53-0
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD01646154
IUPAC Name:
2-(1-methylimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C6H7N3/c1-9-5-4-8-6(9)2-3-7/h4-5H,2H2,1H3
InChI Key:
FCQJYRPVEODPHA-UHFFFAOYSA-N
SMILES:
N#CCc1nccn1C
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:
-0.3
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