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1009-01-4 | Methanesulfonic acid, 2-methylphenyl ester
CAS No: 1009-01-4 Catalog No: AG000350 MDL No:
Product Description
Catalog Number:
AG000350
Chemical Name:
Methanesulfonic acid, 2-methylphenyl ester
CAS Number:
1009-01-4
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
IUPAC Name:
(2-methylphenyl) methanesulfonate
InChI:
InChI=1S/C8H10O3S/c1-7-5-3-4-6-8(7)11-12(2,9)10/h3-6H,1-2H3
InChI Key:
GLMWFEJQRJWNKI-UHFFFAOYSA-N
SMILES:
Cc1ccccc1OS(=O)(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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