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1249059-94-6 | Ethyl 2-(2-methoxyphenyl)sulfanylpropanoate
CAS No: 1249059-94-6 Catalog No: AG01FAVT MDL No:MFCD16089616
Product Description
Catalog Number:
AG01FAVT
Chemical Name:
Ethyl 2-(2-methoxyphenyl)sulfanylpropanoate
CAS Number:
1249059-94-6
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
MDL Number:
MFCD16089616
IUPAC Name:
ethyl 2-(2-methoxyphenyl)sulfanylpropanoate
InChI:
InChI=1S/C12H16O3S/c1-4-15-12(13)9(2)16-11-8-6-5-7-10(11)14-3/h5-9H,4H2,1-3H3
InChI Key:
ZJAQKSDRPNCVSP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccccc1OC)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.317g/mol
Monoisotopic Mass:
240.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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