Heptadecanoic acid

Heptadecanoic acid
Compound Structure:
Synonyms: Heptadecanoic acid; Margaric acid; n-Heptadecanoic acid; Margarinic acid; n-Heptadecylic acid; n-Heptadecoic acid; Heptadecylic acid; Normal-heptadecanoic acid; Margarinate; Margaroate; n-Heptadecoate; n-Heptadecylate; Margarinsaeure; Margaric acid
Compound ID: NMPC-1104
PubChem ID:

10465
Molecular Formula: C17H34O2
Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)O
InChIKey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
About the compound:

Heptadecanoic acid is a C17 saturated fatty acid and trace component of fats in ruminants. It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a margarate.

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

270.5 g/mol

XLogP3

6.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

15

Exact Mass

270.255880323 g/mol

Monoisotopic Mass

270.255880323 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

190

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

Solid

Boiling Point

363.00 to 364.00 °C. @ 760.00 mm Hg

Melting Point

61.3 °C

Source: PubChem            
Source Species: Urena lobata
Cassia nigricans
Pyrenacantha staudtii
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