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85877-81-2 | 4-Oxazolidinone, 3-decyl-2-thioxo-
CAS No: 85877-81-2 Catalog No: AG004WVP MDL No:
Product Description
Catalog Number:
AG004WVP
Chemical Name:
4-Oxazolidinone, 3-decyl-2-thioxo-
CAS Number:
85877-81-2
Molecular Formula:
C13H23NO2S
Molecular Weight:
257.3922
IUPAC Name:
3-decyl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C13H23NO2S/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-16-13(14)17/h2-11H2,1H3
InChI Key:
VGPIOYNRBROEBO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCN1C(=S)OCC1=O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.392g/mol
Monoisotopic Mass:
257.145g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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