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62140-67-4 | Methyl 5-(ethylsulfonyl)-2-methoxybenzoate
CAS No: 62140-67-4 Catalog No: AG003ROC MDL No:MFCD01317547
Product Description
Catalog Number:
AG003ROC
Chemical Name:
Methyl 5-(ethylsulfonyl)-2-methoxybenzoate
CAS Number:
62140-67-4
Molecular Formula:
C11H14O5S
Molecular Weight:
258.2909
MDL Number:
MFCD01317547
IUPAC Name:
methyl 5-ethylsulfonyl-2-methoxybenzoate
InChI:
InChI=1S/C11H14O5S/c1-4-17(13,14)8-5-6-10(15-2)9(7-8)11(12)16-3/h5-7H,4H2,1-3H3
InChI Key:
UUARTHQJSZTOEM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1OC)S(=O)(=O)CC
EC Number:
263-429-4
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.288g/mol
Monoisotopic Mass:
258.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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