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45515-45-5 | 1-METHYL-1H-IMIDAZOLE-2-CARBONITRILE
CAS No: 45515-45-5 Catalog No: AG00DE1L MDL No:MFCD08236846
Product Description
Catalog Number:
AG00DE1L
Chemical Name:
1-METHYL-1H-IMIDAZOLE-2-CARBONITRILE
CAS Number:
45515-45-5
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD08236846
IUPAC Name:
1-methylimidazole-2-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-8-3-2-7-5(8)4-6/h2-3H,1H3
InChI Key:
VUHMRVLSRIYKKU-UHFFFAOYSA-N
SMILES:
N#Cc1nccn1C
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:
0.1
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