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Home > Other Heterocycles > 702700-68-3
702700-68-3 | 2-Oxa-3-azabicyclo[2.2.2]octan-6-one, 3-phenyl-, (1R,4S)-
CAS No: 702700-68-3 Catalog No: AG005KF8 MDL No:
Product Description
Catalog Number:
AG005KF8
Chemical Name:
2-Oxa-3-azabicyclo[2.2.2]octan-6-one, 3-phenyl-, (1R,4S)-
CAS Number:
702700-68-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
(1R,4S)-3-phenyl-2-oxa-3-azabicyclo[2.2.2]octan-6-one
InChI:
InChI=1S/C12H13NO2/c14-11-8-10-6-7-12(11)15-13(10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-,12+/m0/s1
InChI Key:
RQRKVNCLIKAHKJ-CMPLNLGQSA-N
SMILES:
O=C1C[C@@H]2CC[C@H]1ON2c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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