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23996-55-6 | 3-(2-Methyl-1H-imidazol-1-yl)propanenitrile
CAS No: 23996-55-6 Catalog No: AG003I12 MDL No:MFCD00047049
Product Description
Catalog Number:
AG003I12
Chemical Name:
3-(2-Methyl-1H-imidazol-1-yl)propanenitrile
CAS Number:
23996-55-6
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD00047049
IUPAC Name:
3-(2-methylimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C7H9N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2,5H2,1H3
InChI Key:
SESYNEDUKZDRJL-UHFFFAOYSA-N
SMILES:
Cc1nccn1CCC#N
EC Number:
245-976-0
Properties
Complexity:
146
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:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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