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502690-59-7 | 2-Oxazolidinone, 3-[[(5R)-4,5-dihydro-3-phenyl-5-isoxazolyl]carbonyl]-
CAS No: 502690-59-7 Catalog No: AG006V6V MDL No:
Product Description
Catalog Number:
AG006V6V
Chemical Name:
2-Oxazolidinone, 3-[[(5R)-4,5-dihydro-3-phenyl-5-isoxazolyl]carbonyl]-
CAS Number:
502690-59-7
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H12N2O4/c16-12(15-6-7-18-13(15)17)11-8-10(14-19-11)9-4-2-1-3-5-9/h1-5,11H,6-8H2/t11-/m1/s1
InChI Key:
VTIMPNDFHBHIKX-LLVKDONJSA-N
SMILES:
O=C(N1CCOC1=O)[C@@H]1ON=C(C1)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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