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Diethyl cyclopropane-1,2-dicarboxylate

CAT: 1266-JH202765Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH202765Size:1 Each
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CAS Number
20561-09-5
UN Code
UN 1993
Hazard Statement
Xn
Stability
Stable at normal temperatures and pressures.
Molecular Formula
C9H14O4
Molecular Weight
186.21
Product Name Synonym
Diethyl 1,2-cyclopropanedicarboxylate
Physical Properties
Crystalline Solid
Hazardous Class
4.3
Safety Statements
S24/25
Density
1.153g/cm3
Flash Point
98.3oC
RIDADR
UN 1993
Melting Point
116.5 - 117.5 °C (ethanol)

Chemical Information

Diethyl cyclopropane-1,2-dicarboxylate
CAS Number20561-09-5
PubChem CID89350
IUPAC Namediethyl cyclopropane-1,2-dicarboxylate
Molecular FormulaC9H14O4
Molecular Weight186.20
XLogP0.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
CCOC(=O)C1CC1C(=O)OCC
InChI
InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3
InChIKey
SXLDHZFJMXLFJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl cyclopropane-1,2-dicarboxylate
CAS: 20561-09-5
CID: 89350
Formula: C9H14O4
MW: 186.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.20
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass186.08920892
Monoisotopic Mass186.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR55008-01Diethyl cyclopropane-1,2-dicarboxylate
OR26420-01Diethyl cyclopropane-1,1-dicarboxylate
AR-C08683-01Diethyl 1,1-Cyclopropane Dicarboxylate
OR1041678-01Cis-Diethyl cyclopropane-1,2-dicarboxylate
OR315366-01Trans-Diethyl cyclopropane-1,2-dicarboxylate
OR1024821-01Diethyl Cyclohexane-1,2-Dicarboxylate
OR80232-01Diethyl hydrazine-1,2-dicarboxylate
OR1045756-01Diethyl 2-phenylcyclopropane-1,1-dicarboxylate
OR1028822-01Diethyl 2-Vinylcyclopropane-1,1-Dicarboxylate
SBA21275Diethyl 2-oxoheptane-1,7-dicarboxylate

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