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138070-79-8 | Propanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, butyl ester, (2S)-
CAS No: 138070-79-8 Catalog No: AG0017XS MDL No:
Product Description
Catalog Number:
AG0017XS
Chemical Name:
Propanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, butyl ester, (2S)-
CAS Number:
138070-79-8
Molecular Formula:
C14H20O5S
Molecular Weight:
300.3706
IUPAC Name:
butyl 2-(4-methylphenyl)sulfonyloxypropanoate
InChI:
InChI=1S/C14H20O5S/c1-4-5-10-18-14(15)12(3)19-20(16,17)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3
InChI Key:
PBJHSUSAIAAZEW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)[C@@H](OS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.369g/mol
Monoisotopic Mass:
300.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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