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12-Phenyldodecanoic Acid

CAT: 0572-TRC-P321645-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P321645-1GSize:1 g
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CAS Number
14507-27-8
Hazard Statement
No Data Available
Smiles
OC(=O)CCCCCCCCCCCc1ccccc1
Molecular Formula
C18 H28 O2
Molecular Weight
276.414
InChI
InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
Additionnal Information
IUPAC name: 12-phenyldodecanoic acid
Shipping Conditions
Room Temperature

Chemical Information

12-Phenyllauric acid

12-Phenyllauric acid has been reported in Trichilia claussenii with data available.

CAS Number14507-27-8
PubChem CID151922
IUPAC Name12-phenyldodecanoic acid
Molecular FormulaC18H28O2
Molecular Weight276.4
XLogP6.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity232
SMILES
C1=CC=C(C=C1)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
InChIKey
IXEHFJJSVBVZHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-Phenyllauric acid
CAS: 14507-27-8
CID: 151922
Formula: C18H28O2
MW: 276.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass276.208930132
Monoisotopic Mass276.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity232
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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