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Home > Imidazoles > 121575-97-1
121575-97-1 | 2(1H)-Cycloheptimidazolone, 3,4,5,6,7,8-hexahydro- (6CI,9CI)
CAS No: 121575-97-1 Catalog No: AG0015B0 MDL No:
Product Description
Catalog Number:
AG0015B0
Chemical Name:
2(1H)-Cycloheptimidazolone, 3,4,5,6,7,8-hexahydro- (6CI,9CI)
CAS Number:
121575-97-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
3,4,5,6,7,8-hexahydro-1H-cyclohepta[d]imidazol-2-one
InChI:
InChI=1S/C8H12N2O/c11-8-9-6-4-2-1-3-5-7(6)10-8/h1-5H2,(H2,9,10,11)
InChI Key:
LPDVMKGSVXYVQR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)CCCCC2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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