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19485-35-9 | 1-Methyl-1H-imidazole-4,5-dicarbonitrile
CAS No: 19485-35-9 Catalog No: AG003EIL MDL No:MFCD01567299
Product Description
Catalog Number:
AG003EIL
Chemical Name:
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CAS Number:
19485-35-9
Molecular Formula:
C6H4N4
Molecular Weight:
132.1228
MDL Number:
MFCD01567299
IUPAC Name:
1-methylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3
InChI Key:
SUOVGHDPXJUFME-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)ncn1C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.126g/mol
Monoisotopic Mass:
132.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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