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Diisopropyl Malonate

CAT: 0127-OR1030730-01Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1030730-01Size:500 mL
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CAS Number
13195-64-7
Synonyms
Dipropan-2-yl propanedioate
Purity
99%
Smiles
CC(C)OC(=O)CC(=O)OC(C)C

Chemical Information

Diisopropyl malonate
CAS Number13195-64-7
PubChem CID83223
IUPAC Namedipropan-2-yl propanedioate
Molecular FormulaC9H16O4
Molecular Weight188.22
XLogP1.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity164
SMILES
CC(C)OC(=O)CC(=O)OC(C)C
InChI
InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKey
QRVSDVDFJFKYKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisopropyl malonate
CAS: 13195-64-7
CID: 83223
Formula: C9H16O4
MW: 188.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass188.10485899
Monoisotopic Mass188.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity164
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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Alternative Products

CatalogName
447061-01Diisopropyl Malonate
FD05914-01Diisopropyl azodicarboxylate
591993Diisopropyl fumarate
TRC-D525420-250MGDiisopropyl Cyanomethylphosphonate
T20322-01Diisopropyl phthalate
TRC-D459370-100GDiisopropyl Phosphite
10099-70-4Diisopropyl maleate
RG-D090902-01Diisopropyl Sulfate
RG-P022560-01Diisopropyl Adipate
sc-485867Diisopropyl Trisulfide

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