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3-hydroxy Tridecanoic Acid methyl ester

CAT: 0013-GTR19191570-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191570-01Size:5 mg
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Description
This methyl ester of 3-hydroxytridecanoic acid is a key hydroxylated fatty acid found in A. lipolytica and A. glycerini. It serves as a synthetic precursor for components of the female sex pheromone in the painted apple moth (Teia anartoides), making it valuable for research in chemical ecology and pheromone biosynthesis studies.
CAS Number
150024-70-7
Smiles
O=C (OC) CC (O) CCCCCCCCCC
Molecular Formula
C14H28O3
Molecular Weight
244.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 3-hydroxytridecanoate
CAS Number150024-70-7
PubChem CID14666097
IUPAC Namemethyl 3-hydroxytridecanoate
Molecular FormulaC14H28O3
Molecular Weight244.37
XLogP4.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count17
Formal Charge0
Complexity180
SMILES
CCCCCCCCCCC(CC(=O)OC)O
InChI
InChI=1S/C14H28O3/c1-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17-2/h13,15H,3-12H2,1-2H3
InChIKey
MBIWBGYNTOAAKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-hydroxytridecanoate
CAS: 150024-70-7
CID: 14666097
Formula: C14H28O3
MW: 244.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.37
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass244.20384475
Monoisotopic Mass244.20384475
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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