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Malonyl chloride

CAT: 0024-sc-257688ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257688ASize:25 g
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CAS Number
1663-67-8

Chemical Information

Propanedioyl dichloride
CAS Number1663-67-8
PubChem CID74269
IUPAC Namepropanedioyl dichloride
Molecular FormulaC3H2Cl2O2
Molecular Weight140.95
XLogP1.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity87
SMILES
C(C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2
InChIKey
SXYFKXOFMCIXQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanedioyl dichloride
CAS: 1663-67-8
CID: 74269
Formula: C3H2Cl2O2
MW: 140.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight140.95
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass139.9431847
Monoisotopic Mass139.9431847
Topological Polar Surface Area34.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity87.1
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