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Home > Other Heterocycles > 100059-96-9
100059-96-9 | 1,4-Diazabicyclo[4.1.0]heptan-5-one, 7-phenyl-
CAS No: 100059-96-9 Catalog No: AG0000SG MDL No:
Product Description
Catalog Number:
AG0000SG
Chemical Name:
1,4-Diazabicyclo[4.1.0]heptan-5-one, 7-phenyl-
CAS Number:
100059-96-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
7-phenyl-1,4-diazabicyclo[4.1.0]heptan-5-one
InChI:
InChI=1S/C11H12N2O/c14-11-10-9(13(10)7-6-12-11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,14)
InChI Key:
KMRTVBXHIUAWHI-UHFFFAOYSA-N
SMILES:
O=C1NCCN2C1C2c1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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