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Dodecanal

CAT: 0013-GTR19243840-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243840-01Size:50 mg
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Description
Dodecanal is composition of essential oil that can be found in Coriandrum sativum L.
CAS Number
112-54-9
Purity
>98% (HPLC)
Smiles
O=CCCCCCCCCCCC
Molecular Formula
C12H24O
Molecular Weight
184.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dodecanal

Dodecanal is a long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a plant metabolite. It is a medium-chain fatty aldehyde, a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It derives from a hydride of a dodecane.

CAS Number112-54-9
PubChem CID8194
IUPAC Namedodecanal
Molecular FormulaC12H24O
Molecular Weight184.32
XLogP4.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count13
Formal Charge0
Complexity99
SMILES
CCCCCCCCCCCC=O
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChIKey
HFJRKMMYBMWEAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dodecanal
CAS: 112-54-9
CID: 8194
Formula: C12H24O
MW: 184.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.32
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass184.182715385
Monoisotopic Mass184.182715385
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity99.3
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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