CAS 1120-28-1 | Methyl icosanoate | CAS Number 1120-28-1

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1120-28-1 | Methyl icosanoate

CAS No: 1120-28-1 Catalog No: AG003NXA MDL No:MFCD00009014

Product Description

Catalog Number:

AG003NXA

Chemical Name:

Methyl icosanoate

CAS Number:

1120-28-1

Molecular Formula:

C21H42O2

Molecular Weight:

326.5570

MDL Number:

MFCD00009014

IUPAC Name:

methyl icosanoate

InChI:

InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3

InChI Key:

QGBRLVONZXHAKJ-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC

EC Number:

214-304-8

UNII:

0ZH75194U0

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.318g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.565g/mol

Monoisotopic Mass:

326.318g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

10.1

Literature

Title	Journal
Chemical analysis of Greek pollen - Antioxidant, antimicrobial and proteasome activation properties.	Chemistry Central journal 20110101
The volatile compound BinBase mass spectral database.	BMC bioinformatics 20110101
Ethanol fraction of Aralia elata Seemann enhances antioxidant activity and lowers serum lipids in rats when administered with benzo(a)pyrene.	Biological & pharmaceutical bulletin 20031001
Chemical and physical analyses of wax ester properties.	Journal of insect science (Online) 20010101