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Home > Imidazoles > 874000-30-3
874000-30-3 | 2(1H)-Cycloheptimidazolone,3,3a-dihydro-
CAS No: 874000-30-3 Catalog No: AG004JS7 MDL No:
Product Description
Catalog Number:
AG004JS7
Chemical Name:
2(1H)-Cycloheptimidazolone,3,3a-dihydro-
CAS Number:
874000-30-3
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
1H-cyclohepta[d]imidazol-2-one
InChI:
InChI=1S/C8H6N2O/c11-8-9-6-4-2-1-3-5-7(6)10-8/h1-5H,(H,9,10,11)
InChI Key:
HBNPHVRKFGNYAV-UHFFFAOYSA-N
SMILES:
O=c1nc2c([nH]1)ccccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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