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Tetradec-2-enoic acid

CAT: 0127-OR1102577-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102577-01Size:100 mg
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CAS Number
39525-69-4
MDL Number
MFCD00043846
Purity
95%
Smiles
CCCCCCCCCCC/C=C/C (O) =O

Chemical Information

2-Tetradecenoic acid
CAS Number39525-69-4
PubChem CID162384
IUPAC Nametetradec-2-enoic acid
Molecular FormulaC14H26O2
Molecular Weight226.35
XLogP5.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity185
SMILES
CCCCCCCCCCCC=CC(=O)O
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
InChIKey
IBYFOBGPNPINBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Tetradecenoic acid
CAS: 39525-69-4
CID: 162384
Formula: C14H26O2
MW: 226.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.35
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass226.193280068
Monoisotopic Mass226.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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