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848152-10-3 | 5-Oxazolidinone, 3-benzoyl-4-methyl-2-(1-methylethyl)-, (2R,4S)-
CAS No: 848152-10-3 Catalog No: AG004QX6 MDL No:
Product Description
Catalog Number:
AG004QX6
Chemical Name:
5-Oxazolidinone, 3-benzoyl-4-methyl-2-(1-methylethyl)-, (2R,4S)-
CAS Number:
848152-10-3
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(2R,4S)-3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
InChI:
InChI=1S/C14H17NO3/c1-9(2)13-15(10(3)14(17)18-13)12(16)11-7-5-4-6-8-11/h4-10,13H,1-3H3/t10-,13+/m0/s1
InChI Key:
ZPFLWOQPRDKRSG-GXFFZTMASA-N
SMILES:
CC([C@H]1OC(=O)[C@@H](N1C(=O)c1ccccc1)C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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