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17178-10-8 | 2-Methoxyethyl 4-methylbenzenesulfonate
CAS No: 17178-10-8 Catalog No: AG003HK8 MDL No:MFCD00025910
Product Description
Catalog Number:
AG003HK8
Chemical Name:
2-Methoxyethyl 4-methylbenzenesulfonate
CAS Number:
17178-10-8
Molecular Formula:
C10H14O4S
Molecular Weight:
230.2808
MDL Number:
MFCD00025910
IUPAC Name:
2-methoxyethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3
InChI Key:
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
SMILES:
COCCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.278g/mol
Monoisotopic Mass:
230.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and binding properties of calix[4]arenes with [2 + 2'] mixed ligating functional groups. | Organic & biomolecular chemistry 20041007 |
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