CAS 144796-91-8 | Octacosanoic acid, 27-oxo- | CAS Number 144796-91-8

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144796-91-8 | Octacosanoic acid, 27-oxo-

CAS No: 144796-91-8 Catalog No: AG001K6P MDL No:

Product Description

Catalog Number:

AG001K6P

Chemical Name:

Octacosanoic acid, 27-oxo-

CAS Number:

144796-91-8

Molecular Formula:

C28H54O3

Molecular Weight:

438.7266

IUPAC Name:

27-oxooctacosanoic acid

InChI:

InChI=1S/C28H54O3/c1-27(29)25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h2-26H2,1H3,(H,30,31)

InChI Key:

HAAQMOLIPYBWGD-UHFFFAOYSA-N

SMILES:

CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Properties

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

438.407g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

438.737g/mol

Monoisotopic Mass:

438.407g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

11.5

Literature

Title	Journal
Virulence properties of the legionella pneumophila cell envelope.	Frontiers in microbiology 20110101
Cellular fatty acid composition from Sarcobium lyticum (Legionella lytica comb. nov.)--an intracellular bacterial pathogen of amoebae.	Systematic and applied microbiology 20011201