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820237-43-2 | Ethanesulfonic acid, 4-formyl-2,3-dimethylphenyl ester
CAS No: 820237-43-2 Catalog No: AG005D99 MDL No:
Product Description
Catalog Number:
AG005D99
Chemical Name:
Ethanesulfonic acid, 4-formyl-2,3-dimethylphenyl ester
CAS Number:
820237-43-2
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
IUPAC Name:
(4-formyl-2,3-dimethylphenyl) ethanesulfonate
InChI:
InChI=1S/C11H14O4S/c1-4-16(13,14)15-11-6-5-10(7-12)8(2)9(11)3/h5-7H,4H2,1-3H3
InChI Key:
CXTCEMWHIYSCCA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1C)C)OS(=O)(=O)CC
Properties
Complexity:
330
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:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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