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154499-36-2 | 2-Oxazolidinone, 3-(2-methyl-1-oxo-2-propenyl)-4-phenyl-, (4S)-
CAS No: 154499-36-2 Catalog No: AG007XHS MDL No:
Product Description
Catalog Number:
AG007XHS
Chemical Name:
2-Oxazolidinone, 3-(2-methyl-1-oxo-2-propenyl)-4-phenyl-, (4S)-
CAS Number:
154499-36-2
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
(4S)-3-(2-methylprop-2-enoyl)-4-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H13NO3/c1-9(2)12(15)14-11(8-17-13(14)16)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1
InChI Key:
UJBHHSVLIFXDJH-LLVKDONJSA-N
SMILES:
O=C1OC[C@@H](N1C(=O)C(=C)C)c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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