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CAS 169506-15-4 manufacturers and suppliers on PharmaCompass

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CAS 169506-15-4
Also known as: 169506-15-4, 2-(2-ethyloxyphenoxy)ethyl methanesulfonate, Starbld0017804, Schembl2345631, Zinc34525472, 2-(2-ethoxyphenoxy)ethyl methansulfonate
Molecular Formula
C11H16O5S
Molecular Weight
260.31  g/mol
InChI Key
FKLQNFXTDRYXEV-UHFFFAOYSA-N

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 Weight 260.31 g/mol
Molecular Formula C11H16O5S
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass260.07184478 g/mol
Monoisotopic Mass260.07184478 g/mol
Topological Polar Surface Area70.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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