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Home > Other Heterocycles > 188578-76-9
188578-76-9 | 2,5-Diazabicyclo[2.2.1]heptan-3-one, 2-phenyl-, (1S,4S)-
CAS No: 188578-76-9 Catalog No: AG002H0E MDL No:
Product Description
Catalog Number:
AG002H0E
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptan-3-one, 2-phenyl-, (1S,4S)-
CAS Number:
188578-76-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
(1S,4S)-2-phenyl-2,5-diazabicyclo[2.2.1]heptan-3-one
InChI:
InChI=1S/C11H12N2O/c14-11-10-6-9(7-12-10)13(11)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-/m0/s1
InChI Key:
PGEZKYGVUZRVNR-UWVGGRQHSA-N
SMILES:
O=C1[C@H]2NC[C@@H](N1c1ccccc1)C2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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