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155671-12-8 | Benzoic acid, 4-[1-[(methylsulfonyl)oxy]ethyl]-, ethyl ester
CAS No: 155671-12-8 Catalog No: AG001O45 MDL No:
Product Description
Catalog Number:
AG001O45
Chemical Name:
Benzoic acid, 4-[1-[(methylsulfonyl)oxy]ethyl]-, ethyl ester
CAS Number:
155671-12-8
Molecular Formula:
C12H16O5S
Molecular Weight:
272.3174
IUPAC Name:
ethyl 4-(1-methylsulfonyloxyethyl)benzoate
InChI:
InChI=1S/C12H16O5S/c1-4-16-12(13)11-7-5-10(6-8-11)9(2)17-18(3,14)15/h5-9H,4H2,1-3H3
InChI Key:
BRDVCNGDSKJVBH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(OS(=O)(=O)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.315g/mol
Monoisotopic Mass:
272.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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