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462647-85-4 | 2-Oxazolidinone, 3-(1-ethyl-3-oxo-3-phenylpropyl)-
CAS No: 462647-85-4 Catalog No: AG0072SE MDL No:
Product Description
Catalog Number:
AG0072SE
Chemical Name:
2-Oxazolidinone, 3-(1-ethyl-3-oxo-3-phenylpropyl)-
CAS Number:
462647-85-4
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
3-(1-oxo-1-phenylpentan-3-yl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H17NO3/c1-2-12(15-8-9-18-14(15)17)10-13(16)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChI Key:
MHYCMKZVHXWNER-UHFFFAOYSA-N
SMILES:
CCC(N1CCOC1=O)CC(=O)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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