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130193-87-2 | 2-Morpholinone, 4-methyl-5-phenyl-3-(2-propen-1-yl)-, (3S,5R)-
CAS No: 130193-87-2 Catalog No: AG000U3S MDL No:
Product Description
Catalog Number:
AG000U3S
Chemical Name:
2-Morpholinone, 4-methyl-5-phenyl-3-(2-propen-1-yl)-, (3S,5R)-
CAS Number:
130193-87-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
4-methyl-5-phenyl-3-prop-2-enylmorpholin-2-one
InChI:
InChI=1S/C14H17NO2/c1-3-7-12-14(16)17-10-13(15(12)2)11-8-5-4-6-9-11/h3-6,8-9,12-13H,1,7,10H2,2H3
InChI Key:
AOIKQEJAKLTMJL-UHFFFAOYSA-N
SMILES:
C=CC[C@H]1C(=O)OC[C@H](N1C)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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