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Oleic acid-ul-13C18

CAT: 0926-MLA10082-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-MLA10082-01Size:10 mg
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CAS Number
287100-82-7
MDL Number
MFCD00145035
Smiles
CCCCCCCCC=CCCCCCCCC (=O) O
Molecular Formula
C18H34O2
Molecular Weight
300.33 g/mol
Controlled
No

Chemical Information

Oleic acid-13C18
CAS Number287100-82-7
PubChem CID16213466
IUPAC Name(Z)-(1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadec-9-enoic acid
Molecular FormulaC18H34O2
Molecular Weight300.33
XLogP6.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity234
SMILES
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
InChIKey
ZQPPMHVWECSIRJ-IGBBIXMTSA-N
Chemical Structure
2D Structure
2D structure of Oleic acid-13C18
CAS: 287100-82-7
CID: 16213466
Formula: C18H34O2
MW: 300.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.33
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass300.31626736
Monoisotopic Mass300.31626736
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity234
Isotope Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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