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138690-03-6 | 2-Oxazolidinone, 4-(1-methylethyl)-3-(2-phenylacetyl)-, (4S)-
CAS No: 138690-03-6 Catalog No: AG001914 MDL No:
Product Description
Catalog Number:
AG001914
Chemical Name:
2-Oxazolidinone, 4-(1-methylethyl)-3-(2-phenylacetyl)-, (4S)-
CAS Number:
138690-03-6
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(4S)-3-(2-phenylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H17NO3/c1-10(2)12-9-18-14(17)15(12)13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChI Key:
ZWSZMFRBRMBBEE-GFCCVEGCSA-N
SMILES:
CC([C@H]1COC(=O)N1C(=O)Cc1ccccc1)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
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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