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34097-60-4 | Methyl 2-(phenylsulfonyl)acetate
CAS No: 34097-60-4 Catalog No: AG003S23 MDL No:MFCD00007555
Product Description
Catalog Number:
AG003S23
Chemical Name:
Methyl 2-(phenylsulfonyl)acetate
CAS Number:
34097-60-4
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD00007555
IUPAC Name:
methyl 2-(benzenesulfonyl)acetate
InChI:
InChI=1S/C9H10O4S/c1-13-9(10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
NLEAIFBNKPYTGN-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression. | Bioorganic & medicinal chemistry letters 20030224 |
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