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191284-34-1 | 2H-1,4-Oxazin-2-one, 3,6-dihydro-3-methyl-6-(1-methylethyl)-5-phenyl-, (3S,6R)-
CAS No: 191284-34-1 Catalog No: AG002F59 MDL No:
Product Description
Catalog Number:
AG002F59
Chemical Name:
2H-1,4-Oxazin-2-one, 3,6-dihydro-3-methyl-6-(1-methylethyl)-5-phenyl-, (3S,6R)-
CAS Number:
191284-34-1
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
(2R,5S)-5-methyl-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
InChI:
InChI=1S/C14H17NO2/c1-9(2)13-12(11-7-5-4-6-8-11)15-10(3)14(16)17-13/h4-10,13H,1-3H3/t10-,13+/m0/s1
InChI Key:
XQMCAYQHEBZGJA-GXFFZTMASA-N
SMILES:
CC([C@H]1OC(=O)[C@@H](N=C1c1ccccc1)C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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