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88820-24-0 | 6(1H)-Cycloheptimidazolone, 1-methyl-
CAS No: 88820-24-0 Catalog No: AG004C4C MDL No:
Product Description
Catalog Number:
AG004C4C
Chemical Name:
6(1H)-Cycloheptimidazolone, 1-methyl-
CAS Number:
88820-24-0
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
3-methylcyclohepta[d]imidazol-6-one
InChI:
InChI=1S/C9H8N2O/c1-11-6-10-8-4-2-7(12)3-5-9(8)11/h2-6H,1H3
InChI Key:
JZNIUNGMKKFXAQ-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(cc1)ncn2C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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