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16-Heptadecynoic Acid

CAT: 0572-TRC-H281295-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H281295-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93813-16-2
Hazard Statement
No Data Available
Smiles
OC(=O)CCCCCCCCCCCCCCC#C
Molecular Formula
C17H30O2
Molecular Weight
266.42
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

16-Heptadecynoic acid

16-heptadecynoic acid is a long-chain fatty acid.

CAS Number93813-16-2
PubChem CID5312626
IUPAC Nameheptadec-16-ynoic acid
Molecular FormulaC17H30O2
Molecular Weight266.4
XLogP6.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity249
SMILES
C#CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h1H,3-16H2,(H,18,19)
InChIKey
RNSFDLGSPZXGGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Heptadecynoic acid
CAS: 93813-16-2
CID: 5312626
Formula: C17H30O2
MW: 266.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.4
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass266.224580195
Monoisotopic Mass266.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity249
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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