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93862-55-6 | 2-Oxazolidinone, 4-(1-methylethyl)-3-[(4-methylphenyl)acetyl]-, (S)-
CAS No: 93862-55-6 Catalog No: AG006C2N MDL No:
Product Description
Catalog Number:
AG006C2N
Chemical Name:
2-Oxazolidinone, 4-(1-methylethyl)-3-[(4-methylphenyl)acetyl]-, (S)-
CAS Number:
93862-55-6
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
3-[2-(4-methylphenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H19NO3/c1-10(2)13-9-19-15(18)16(13)14(17)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3
InChI Key:
SIFRTGRRMYDPHV-UHFFFAOYSA-N
SMILES:
CC([C@H]1COC(=O)N1C(=O)Cc1ccc(cc1)C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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