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148081-11-2 | 2-Oxazolidinone, 3-(2-methyl-1-oxo-2-propen-1-yl)-4-(phenylmethyl)-, (4S)-
CAS No: 148081-11-2 Catalog No: AG001FFF MDL No:
Product Description
Catalog Number:
AG001FFF
Chemical Name:
2-Oxazolidinone, 3-(2-methyl-1-oxo-2-propen-1-yl)-4-(phenylmethyl)-, (4S)-
CAS Number:
148081-11-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO3/c1-10(2)13(16)15-12(9-18-14(15)17)8-11-6-4-3-5-7-11/h3-7,12H,1,8-9H2,2H3/t12-/m0/s1
InChI Key:
NYILVXRHZOKEGP-LBPRGKRZSA-N
SMILES:
O=C1OC[C@@H](N1C(=O)C(=C)C)Cc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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