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95798-31-5 | 2-Oxazolidinone, 4-(1-methylethyl)-3-(1-oxo-3-phenylpropyl)-, (4S)-
CAS No: 95798-31-5 Catalog No: AG005XDK MDL No:
Product Description
Catalog Number:
AG005XDK
Chemical Name:
2-Oxazolidinone, 4-(1-methylethyl)-3-(1-oxo-3-phenylpropyl)-, (4S)-
CAS Number:
95798-31-5
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H19NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChI Key:
FXFNSZINJMOGDV-CYBMUJFWSA-N
SMILES:
CC([C@H]1COC(=O)N1C(=O)CCc1ccccc1)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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