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70687-99-9 | 2-Oxazolidinone,4-methyl-5-[4-[(1-methylethyl)thio]phenyl]-3-octyl-
CAS No: 70687-99-9 Catalog No: AG005GUH MDL No:
Product Description
Catalog Number:
AG005GUH
Chemical Name:
2-Oxazolidinone,4-methyl-5-[4-[(1-methylethyl)thio]phenyl]-3-octyl-
CAS Number:
70687-99-9
Molecular Formula:
C21H33NO2S
Molecular Weight:
363.5572
IUPAC Name:
4-methyl-3-octyl-5-(4-propan-2-ylsulfanylphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C21H33NO2S/c1-5-6-7-8-9-10-15-22-17(4)20(24-21(22)23)18-11-13-19(14-12-18)25-16(2)3/h11-14,16-17,20H,5-10,15H2,1-4H3
InChI Key:
UMRYNDVEINOMAE-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C(=O)OC(C1C)c1ccc(cc1)SC(C)C
EC Number:
274-754-6
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.223g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.56g/mol
Monoisotopic Mass:
363.223g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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