Tetracosanoic acid, methyl ester

Tetracosanoic acid, methyl ester
Compound Structure:
Synonyms: Methyl tetracosanoate ;2442-49-1 ;Lignoceric acid methyl ester ;Methyl lignocerate ;Tetracosanoic acid, methyl ester
Compound ID: NMPC-1523
PubChem ID:

75546
Molecular Formula: C25H50O2
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChIKey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

382.7 g/mol

XLogP3

12.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

23

Exact Mass

382.381080833 g/mol

Monoisotopic Mass

382.381080833 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

27

Formal Charge

0

Complexity

288

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Plumbago zeylanica
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