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127074-24-2 | Propanoic acid, 2-methyl-2-(phenylsulfinyl)-, ethyl ester
CAS No: 127074-24-2 Catalog No: AG000WNK MDL No:
Product Description
Catalog Number:
AG000WNK
Chemical Name:
Propanoic acid, 2-methyl-2-(phenylsulfinyl)-, ethyl ester
CAS Number:
127074-24-2
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
IUPAC Name:
ethyl 2-(benzenesulfinyl)-2-methylpropanoate
InChI:
InChI=1S/C12H16O3S/c1-4-15-11(13)12(2,3)16(14)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI Key:
QWKQVLXGIWXKDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(S(=O)c1ccccc1)(C)C
Properties
Complexity:
267
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:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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