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23096-24-4 | 5H-Oxazolo[3,2-a]pyridin-3(2H)-one, tetrahydro-2-phenyl-, trans- (9CI)
CAS No: 23096-24-4 Catalog No: AG002M6N MDL No:
Product Description
Catalog Number:
AG002M6N
Chemical Name:
5H-Oxazolo[3,2-a]pyridin-3(2H)-one, tetrahydro-2-phenyl-, trans- (9CI)
CAS Number:
23096-24-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
(2R,8aS)-2-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridin-3-one
InChI:
InChI=1S/C13H15NO2/c15-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-14(11)13/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+/m0/s1
InChI Key:
SFTOXZVKXURWAE-NWDGAFQWSA-N
SMILES:
O=C1N2CCCC[C@@H]2O[C@@H]1c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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