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102222-10-6 | 2H-Azepin-2-one, 1,3-dibenzoylhexahydro-
CAS No: 102222-10-6 Catalog No: AG0006YU MDL No:
Product Description
Catalog Number:
AG0006YU
Chemical Name:
2H-Azepin-2-one, 1,3-dibenzoylhexahydro-
CAS Number:
102222-10-6
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
IUPAC Name:
1,3-dibenzoylazepan-2-one
InChI:
InChI=1S/C20H19NO3/c22-18(15-9-3-1-4-10-15)17-13-7-8-14-21(20(17)24)19(23)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2
InChI Key:
MUAFMSKOKSAMBC-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCN(C1=O)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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