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70631-95-7 | 4-Methyl-1H-iMidazole-2-carbonitrile
CAS No: 70631-95-7 Catalog No: AG00FFDD MDL No:MFCD19218812
Product Description
Catalog Number:
AG00FFDD
Chemical Name:
4-Methyl-1H-iMidazole-2-carbonitrile
CAS Number:
70631-95-7
Molecular Formula:
C5H5N3
Molecular Weight:
107.1133
MDL Number:
MFCD19218812
IUPAC Name:
5-methyl-1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-4-3-7-5(2-6)8-4/h3H,1H3,(H,7,8)
InChI Key:
SMSBRGXJBHXFMW-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)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:
1
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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