9-Methyl heptadecanoic acid

Compound Structure:

Synonyms:

METHYL HEPTADECANOATE;1731-92-6;Methyl margarate;Heptadecanoic acid, methyl ester;Margaric acid methyl ester;Heptadecanoic acid methyl ester;methylheptadecanoate;n-Heptadecanoic acid methyl ester;NSC-97364

Compound ID:

NMPC-526

PubChem ID:

15609

Molecular Formula:

C18H36O2

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OC

InChIKey:

HUEBIMLTDXKIPR-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	284.5 g/mol
XLogP3	8.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	284.271530387 g/mol
Monoisotopic Mass	284.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	202
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	Off-white powder; mp = 29.8-30.3 deg C; [Sigma-Aldrich MSDS]

Source: PubChem

Source Species:

Schumanniophyton magnificum

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