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9-Oxoheptadecanedioic acid

CAT: 0931-T38991Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T38991Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1502-36-9
Target
Others
Related Pathways
Others
Bioactivity
9-Oxoheptadecanedioic acid (compound 46), serving as a precursor to Civetone, is utilized in protein labeling.
Smiles
OC(=O)CCCCCCCC(=O)CCCCCCCC(O)=O
Molecular Formula
C17H30O5
Molecular Weight
314.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-Oxoheptadecanedioic acid
CAS Number1502-36-9
PubChem CID71351215
IUPAC Name9-oxoheptadecanedioic acid
Molecular FormulaC17H30O5
Molecular Weight314.4
XLogP3.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity295
SMILES
C(CCCC(=O)CCCCCCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C17H30O5/c18-15(11-7-3-1-5-9-13-16(19)20)12-8-4-2-6-10-14-17(21)22/h1-14H2,(H,19,20)(H,21,22)
InChIKey
PIDPYYAWBYNTFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Oxoheptadecanedioic acid
CAS: 1502-36-9
CID: 71351215
Formula: C17H30O5
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass314.20932405
Monoisotopic Mass314.20932405
Topological Polar Surface Area91.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity295
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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