CAS 141-28-6 | Hexanedioic acid, 1,6-diethyl ester | CAS Number 141-28-6

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141-28-6 | Hexanedioic acid, 1,6-diethyl ester

CAS No: 141-28-6 Catalog No: AG001FPM MDL No:MFCD00009215

Product Description

Catalog Number:

AG001FPM

Chemical Name:

Hexanedioic acid, 1,6-diethyl ester

CAS Number:

141-28-6

Molecular Formula:

C10H18O4

Molecular Weight:

202.2475

MDL Number:

MFCD00009215

IUPAC Name:

diethyl hexanedioate

InChI:

InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

InChI Key:

VIZORQUEIQEFRT-UHFFFAOYSA-N

SMILES:

CCOC(=O)CCCCC(=O)OCC

EC Number:

205-477-0

UNII:

7B19K45L6C

Properties

Complexity:

157

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.25g/mol

Monoisotopic Mass:

202.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction.	Biomedical chromatography : BMC 20101001
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Degradation of malathion, in aqueous extracts of asparagus (Asparagus officinalis).	Journal of agricultural and food chemistry 20040922
Effect of fatty acid diesters on permeation of anti-inflammatory drugs through rat skin.	Drug development and industrial pharmacy 20021101