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9-Oxooctadecanedioic acid

CAT: 0931-TN10699-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10699-01Size:10 mg
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CAS Number
2489590-40-9
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
9-Oxooctadecanedioic acid is an α, ω-dicarboxylic fatty acid monomer found in the suberin of Quercus suber cork. It plays a role in the composition of plant structures.
Smiles
O=C(O)CCCCCCCC(=O)CCCCCCCCC(=O)O
Molecular Formula
C18H32O5
Molecular Weight
328.444
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-Oxooctadecanedioic acid
CAS Number2489590-40-9
PubChem CID101017456
IUPAC Name9-oxooctadecanedioic acid
Molecular FormulaC18H32O5
Molecular Weight328.4
XLogP4
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count23
Formal Charge0
Complexity338
SMILES
C(CCCCC(=O)O)CCCC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O5/c19-16(13-9-5-3-7-11-15-18(22)23)12-8-4-1-2-6-10-14-17(20)21/h1-15H2,(H,20,21)(H,22,23)
InChIKey
FFHGDHKUQHSECY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Oxooctadecanedioic acid
CAS: 2489590-40-9
CID: 101017456
Formula: C18H32O5
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass328.22497412
Monoisotopic Mass328.22497412
Topological Polar Surface Area91.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity338
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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