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Home > Imidazoles > 916257-35-7
916257-35-7 | 5-formyl-1-methyl-1H-imidazole-4-carbonitrile
CAS No: 916257-35-7 Catalog No: AG01DWUH MDL No:MFCD24685241
Product Description
Catalog Number:
AG01DWUH
Chemical Name:
5-formyl-1-methyl-1H-imidazole-4-carbonitrile
CAS Number:
916257-35-7
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD24685241
IUPAC Name:
5-formyl-1-methylimidazole-4-carbonitrile
InChI:
InChI=1S/C6H5N3O/c1-9-4-8-5(2-7)6(9)3-10/h3-4H,1H3
InChI Key:
FQPOKMQJCOETCR-UHFFFAOYSA-N
SMILES:
O=Cc1c(C#N)ncn1C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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