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12-Methyltridecanal

CAT: 0572-TRC-M331160-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M331160-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75853-49-5
Hazard Statement
Causes skin irritation.
Purity
>95% (GC)
Smiles
CC(C)CCCCCCCCCCC=O
Molecular Formula
C14 H28 O
Molecular Weight
212.37
InChI
InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
Additionnal Information
IUPAC name: 12-methyltridecanal
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

12-Methyltridecanal
CAS Number75853-49-5
PubChem CID3018619
IUPAC Name12-methyltridecanal
Molecular FormulaC14H28O
Molecular Weight212.37
XLogP5.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity129
SMILES
CC(C)CCCCCCCCCCC=O
InChI
InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChIKey
OQWNKUAZQSLNSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12-Methyltridecanal
CAS: 75853-49-5
CID: 3018619
Formula: C14H28O
MW: 212.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.37
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass212.214015512
Monoisotopic Mass212.214015512
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity129
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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Alternative Products

CatalogName
OR1066690-0112-Methyltridecanal
sc-48731612-Methyltridecanal-d7
1612661A-12, adapter for 12
TGA70396-0112,12,12-Trifluorododecane-1-thiol
216666Interleukin 12 (Interleukin-12, IL-12)
PC10651412,12,12-Trifluorododecan-1-ol
MBS393774-01Dodecanoic-12,12,12-D3 Acid
A3000-90AAquaporin 12 (Aquaporin-12, AQP-12, AQP12)
C2088-59JCASP12 (Caspase-12, CASP-12, Caspase 12)
TTE131112-Deoxo-12α-acetoxyelliptone

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