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199657-02-8 | Benzoic acid, 2-(methylsulfonyl)-, methyl ester
CAS No: 199657-02-8 Catalog No: AG002C8T MDL No:MFCD03001211
Product Description
Catalog Number:
AG002C8T
Chemical Name:
Benzoic acid, 2-(methylsulfonyl)-, methyl ester
CAS Number:
199657-02-8
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD03001211
IUPAC Name:
methyl 2-methylsulfonylbenzoate
InChI:
InChI=1S/C9H10O4S/c1-13-9(10)7-5-3-4-6-8(7)14(2,11)12/h3-6H,1-2H3
InChI Key:
XFZSGPKVIDVBEG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1S(=O)(=O)C
Properties
Complexity:
301
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:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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