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58058-86-9 | Benzeneacetic acid, 4-(methylsulfonyl)-, ethyl ester
CAS No: 58058-86-9 Catalog No: AG01F8M9 MDL No:
Product Description
Catalog Number:
AG01F8M9
Chemical Name:
Benzeneacetic acid, 4-(methylsulfonyl)-, ethyl ester
CAS Number:
58058-86-9
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
IUPAC Name:
ethyl 2-(4-methylsulfonylphenyl)acetate
InChI:
InChI=1S/C11H14O4S/c1-3-15-11(12)8-9-4-6-10(7-5-9)16(2,13)14/h4-7H,3,8H2,1-2H3
InChI Key:
OOGJEXQCBINWSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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