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CAS 55398-23-7

CAS 55398-23-7

Chemistry, 1 End Use API

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CAS 55398-23-7

Also known as: 55398-23-7, 1,2,4-trioxolane-2-octanoic acid, 5-octyl-, methyl ester, Methyl 8-(5-octyl-1,2,4-trioxolan-3-yl)octanoate, Schembl13855714, Dtxsid70970741, Methyl 8-(5-octyl-1,2,4-trioxolan-3-yl)octanoate #

Molecular Formula

C₁₉H₃₆O₅

Molecular Weight

344.5 g/mol

InChI Key

ZWLPKVFUKKKNGN-UHFFFAOYSA-N

1 2D Structure

CAS 55398-23-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 8-(5-octyl-1,2,4-trioxolan-3-yl)octanoate

2.1.2 InChI

InChI=1S/C19H36O5/c1-3-4-5-6-9-12-15-18-22-19(24-23-18)16-13-10-7-8-11-14-17(20)21-2/h18-19H,3-16H2,1-2H3

2.1.3 InChI Key

ZWLPKVFUKKKNGN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCC1OC(OO1)CCCCCCCC(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 55398-23-7

2. 1,2,4-trioxolane-2-octanoic Acid, 5-octyl-, Methyl Ester

3. Methyl 8-(5-octyl-1,2,4-trioxolan-3-yl)octanoate

4. Schembl13855714

5. Dtxsid70970741

6. Methyl 8-(5-octyl-1,2,4-trioxolan-3-yl)octanoate #

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₆O₅
Molecular Weight	344.5 g/mol
XLogP3	6.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Exact Mass	344.25627424 g/mol
Monoisotopic Mass	344.25627424 g/mol
Topological Polar Surface Area	54 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Ramdev Chemical Pvt Ltd

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Digital Content

Arterolane

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CAS Number

55398-23-7

Intermediate Name

Trioxolane methyl ester

About the Company

Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...

Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.

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