Tridecanoic acid, methyl ester

Tridecanoic acid, methyl ester
Compound Structure:
Synonyms: METHYL TRIDECANOATE; 1731-88-0; Tridecanoic acid, methyl ester; Tridecanoic acid methyl ester;Methyl n-tridecanoate
Compound ID: NMPC-1572
PubChem ID:

15608
Molecular Formula: C14H28O2
Canonical SMILES: CCCCCCCCCCCCC(=O)OC
InChIKey: JNDDPBOKWCBQSM-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

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

• H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

228.37 g/mol

XLogP3

6.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

12

Exact Mass

228.208930132 g/mol

Monoisotopic Mass

228.208930132 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

155

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

Physical Description

Clear colorless liquid;

Vapor Pressure

0.00129 [mmHg]

Source:PubChem
Source Species: Mucuna sloanei
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