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263400-88-0 | 1-Propanol, 3-(methylsulfonyl)-, 1-(4-methylbenzenesulfonate)
CAS No: 263400-88-0 Catalog No: AG002STT MDL No:MFCD22124592
Product Description
Catalog Number:
AG002STT
Chemical Name:
1-Propanol, 3-(methylsulfonyl)-, 1-(4-methylbenzenesulfonate)
CAS Number:
263400-88-0
Molecular Formula:
C11H16O5S2
Molecular Weight:
292.3717
MDL Number:
MFCD22124592
IUPAC Name:
3-methylsulfonylpropyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H16O5S2/c1-10-4-6-11(7-5-10)18(14,15)16-8-3-9-17(2,12)13/h4-7H,3,8-9H2,1-2H3
InChI Key:
AXUFUWARAAYMCG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCCS(=O)(=O)C
EC Number:
809-900-5
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.364g/mol
Monoisotopic Mass:
292.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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