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130835-27-7 | 2-Oxazolidinone, 3-(1-oxo-2-propen-1-yl)-4-(phenylmethyl)-, (4R)-
CAS No: 130835-27-7 Catalog No: AG000V06 MDL No:
Product Description
Catalog Number:
AG000V06
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-2-propen-1-yl)-4-(phenylmethyl)-, (4R)-
CAS Number:
130835-27-7
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
(4R)-4-benzyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H13NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2/t11-/m1/s1
InChI Key:
BXTTZHBXACXDLV-LLVKDONJSA-N
SMILES:
C=CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
Properties
Complexity:
321
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:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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