CAS 169506-15-4

1 2D Structure

CAS 169506-15-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-ethoxyphenoxy)ethyl methanesulfonate

2.1.2 InChI

InChI=1S/C11H16O5S/c1-3-14-10-6-4-5-7-11(10)15-8-9-16-17(2,12)13/h4-7H,3,8-9H2,1-2H3

2.1.3 InChI Key

FKLQNFXTDRYXEV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC=CC=C1OCCOS(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 169506-15-4

2. 2-(2-ethyloxyphenoxy)ethyl Methanesulfonate

3. Starbld0017804

4. Schembl2345631

5. Zinc34525472

6. 2-(2-ethoxyphenoxy)ethyl Methansulfonate

7. Ft-0700769

8. Ethanol, 2-(2-ethoxyphenoxy)-, Methanesulfonate

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O₅S
Molecular Weight	260.31 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	260.07184478 g/mol
Monoisotopic Mass	260.07184478 g/mol
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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