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201737-94-2 | Benzeneacetic acid, 2-[4-(methylsulfonyl)phenyl]-2-oxoethyl ester
CAS No: 201737-94-2 Catalog No: AG0027SS MDL No:
Product Description
Catalog Number:
AG0027SS
Chemical Name:
Benzeneacetic acid, 2-[4-(methylsulfonyl)phenyl]-2-oxoethyl ester
CAS Number:
201737-94-2
Molecular Formula:
C17H16O5S
Molecular Weight:
332.3709
IUPAC Name:
[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate
InChI:
InChI=1S/C17H16O5S/c1-23(20,21)15-9-7-14(8-10-15)16(18)12-22-17(19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChI Key:
FFGBLORBEKAYGC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)S(=O)(=O)C)COC(=O)Cc1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.37g/mol
Monoisotopic Mass:
332.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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