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1363179-14-9 | Benzeneacetic acid, 4-(ethylsulfonyl)-, methyl ester
CAS No: 1363179-14-9 Catalog No: AG0011MB MDL No:
Product Description
Catalog Number:
AG0011MB
Chemical Name:
Benzeneacetic acid, 4-(ethylsulfonyl)-, methyl ester
CAS Number:
1363179-14-9
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
IUPAC Name:
methyl 2-(4-ethylsulfonylphenyl)acetate
InChI:
InChI=1S/C11H14O4S/c1-3-16(13,14)10-6-4-9(5-7-10)8-11(12)15-2/h4-7H,3,8H2,1-2H3
InChI Key:
LJLMLLBNMUPMQH-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)S(=O)(=O)CC
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:
1.3
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