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Home > Other Heterocycles > 99361-28-1
99361-28-1 | 6-PHENYL-3,6-DIAZABICYCLO[3.1.0]HEXANE-2,4-DIONE
CAS No: 99361-28-1 Catalog No: AG005SDR MDL No:
Product Description
Catalog Number:
AG005SDR
Chemical Name:
6-PHENYL-3,6-DIAZABICYCLO[3.1.0]HEXANE-2,4-DIONE
CAS Number:
99361-28-1
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
6-phenyl-3,6-diazabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C10H8N2O2/c13-9-7-8(10(14)11-9)12(7)6-4-2-1-3-5-6/h1-5,7-8H,(H,11,13,14)
InChI Key:
LHQLVGHADKOOIZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2C1N2c1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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