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152555-02-7 | (3R,8aR)-3-Phenyl-hexahydro-oxazolo[3,2-a]pyridin-5-one
CAS No: 152555-02-7 Catalog No: AG00JSF7 MDL No:
Product Description
Catalog Number:
AG00JSF7
Chemical Name:
(3R,8aR)-3-Phenyl-hexahydro-oxazolo[3,2-a]pyridin-5-one
CAS Number:
152555-02-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
(3S,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
InChI:
InChI=1S/C13H15NO2/c15-12-7-4-8-13-14(12)11(9-16-13)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2/t11-,13+/m1/s1
InChI Key:
QOERGTUYRSMLQN-YPMHNXCESA-N
SMILES:
O=C1CCC[C@@H]2N1[C@@H](CO2)c1ccccc1
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:
1.5
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