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4-Dodecylresorcinol

CAT: 0572-TRC-D521185-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D521185-250MGSize:250 mg
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CAS Number
24305-56-4
Hazard Statement
Causes skin irritation
Smiles
CCCCCCCCCCCCc1ccc(O)cc1O
Molecular Formula
C18 H30 O2
Molecular Weight
278.43
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3
Additionnal Information
IUPAC name: 4-dodecylbenzene-1,3-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Dodecylresorcinol
CAS Number24305-56-4
PubChem CID90458
IUPAC Name4-dodecylbenzene-1,3-diol
Molecular FormulaC18H30O2
Molecular Weight278.4
XLogP6.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity217
SMILES
CCCCCCCCCCCCC1=C(C=C(C=C1)O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3
InChIKey
JJWVPHWHEGQZOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Dodecylresorcinol
CAS: 24305-56-4
CID: 90458
Formula: C18H30O2
MW: 278.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.4
XLogP36.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass278.224580195
Monoisotopic Mass278.224580195
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity217
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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