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Diethyl 4-oxopimelate

CAT: 0572-TRC-D476623-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D476623-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6317-49-3
Hazard Statement
No Data Available
Smiles
CCOC(=O)CCC(=O)CCC(=O)OCC
Molecular Formula
C11H18O5
Molecular Weight
230.26
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diethyl 4-oxoheptanedioate
CAS Number6317-49-3
PubChem CID80592
IUPAC Namediethyl 4-oxoheptanedioate
Molecular FormulaC11H18O5
Molecular Weight230.26
XLogP0.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count16
Formal Charge0
Complexity223
SMILES
CCOC(=O)CCC(=O)CCC(=O)OCC
InChI
InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3
InChIKey
ZGBUXZJMZBBISR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 4-oxoheptanedioate
CAS: 6317-49-3
CID: 80592
Formula: C11H18O5
MW: 230.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.26
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass230.11542367
Monoisotopic Mass230.11542367
Topological Polar Surface Area69.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity223
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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sc-234650Diethyl 4-oxopimelate
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