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199915-68-9 | Octanethioic acid, 2-methylene-, S-(4-methoxyphenyl) ester
CAS No: 199915-68-9 Catalog No: AG002CFP MDL No:
Product Description
Catalog Number:
AG002CFP
Chemical Name:
Octanethioic acid, 2-methylene-, S-(4-methoxyphenyl) ester
CAS Number:
199915-68-9
Molecular Formula:
C16H22O2S
Molecular Weight:
278.4097
IUPAC Name:
S-(4-methoxyphenyl) 2-methylideneoctanethioate
InChI:
InChI=1S/C16H22O2S/c1-4-5-6-7-8-13(2)16(17)19-15-11-9-14(18-3)10-12-15/h9-12H,2,4-8H2,1,3H3
InChI Key:
GVCFRHSNPLCIDK-UHFFFAOYSA-N
SMILES:
CCCCCCC(=C)C(=O)Sc1ccc(cc1)OC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.41g/mol
Monoisotopic Mass:
278.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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