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66121-69-5 | 1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE
CAS No: 66121-69-5 Catalog No: AG00FD23 MDL No:MFCD06411537
Product Description
Catalog Number:
AG00FD23
Chemical Name:
1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE
CAS Number:
66121-69-5
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD06411537
IUPAC Name:
1-methylimidazole-4-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3
InChI Key:
LAKVILSENFFPRR-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)C#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:
0.1
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