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Dipentyl oxalate

CAT: 0931-T31514Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31514Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20602-86-2
Target
Others
Related Pathways
Others
Bioactivity
Dipentyl oxalate is a biochemical.
Smiles
O=C(OCCCCC)C(=O)OCCCCC
Molecular Formula
C12H22O4
Molecular Weight
230.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dipentyl oxalate
CAS Number20602-86-2
PubChem CID88614
IUPAC Namedipentyl oxalate
Molecular FormulaC12H22O4
Molecular Weight230.30
XLogP3.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity179
SMILES
CCCCCOC(=O)C(=O)OCCCCC
InChI
InChI=1S/C12H22O4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
XAHVPYNDLCTDTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dipentyl oxalate
CAS: 20602-86-2
CID: 88614
Formula: C12H22O4
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass230.15180918
Monoisotopic Mass230.15180918
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity179
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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