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813462-83-8 | 1H-Imidazole-4-carbonitrile, 5-acetyl-
CAS No: 813462-83-8 Catalog No: AG00GDGW MDL No:
Product Description
Catalog Number:
AG00GDGW
Chemical Name:
1H-Imidazole-4-carbonitrile, 5-acetyl-
CAS Number:
813462-83-8
IUPAC Name:
5-acetyl-1H-imidazole-4-carbonitrile
InChI:
InChI=1S/C6H5N3O/c1-4(10)6-5(2-7)8-3-9-6/h3H,1H3,(H,8,9)
InChI Key:
NBUVTNBHLKLAGN-UHFFFAOYSA-N
Properties
Complexity:
192
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:
1
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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