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Heptadecanoic acid

CAT: 0926-FH63213-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FH63213-02Size:100 g
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CAS Number
506-12-7
MDL Number
MFCD00002751
Smiles
CCCCCCCCCCCCCCCCC (=O) O
Molecular Formula
C17H34O2
Molecular Weight
270.45 g/mol
Controlled
No

Chemical Information

Heptadecanoic Acid

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.

CAS Number506-12-7
PubChem CID10465
IUPAC Nameheptadecanoic acid
Molecular FormulaC17H34O2
Molecular Weight270.5
XLogP6.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity190
SMILES
CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey
KEMQGTRYUADPNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heptadecanoic Acid
CAS: 506-12-7
CID: 10465
Formula: C17H34O2
MW: 270.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.5
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass270.255880323
Monoisotopic Mass270.255880323
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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