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Mucochloric Acid

CAT: 0572-TRC-M790800-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M790800-50GSize:50 g
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CAS Number
87-56-9
Synonyms
(Z)-2,3-Dichloro-4-oxo-2-butenoic Acid; Dichloromalealdehydic Acid; 2,3-Dichloromaleic Aldehyde Acid; Dichloromalealdehydic Acid; α,β-Dichloro-β-formylacrylic Acid;
Hazard Statement
No Data Available; UN number: UN2923; Packing Group: I
Smiles
OC(=O)\C(=C(\Cl)/C=O)\Cl
Molecular Formula
C4H2Cl2O3
Molecular Weight
168.96
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mucochloric Acid
CAS Number87-56-9
PubChem CID2771871
IUPAC Name(Z)-2,3-dichloro-4-oxobut-2-enoic acid
Molecular FormulaC4H2Cl2O3
Molecular Weight168.96
XLogP1.2
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity173
SMILES
C(=O)/C(=C(\C(=O)O)/Cl)/Cl
InChI
InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
InChIKey
LUMLZKVIXLWTCI-IHWYPQMZSA-N
Chemical Structure
2D Structure
2D structure of Mucochloric Acid
CAS: 87-56-9
CID: 2771871
Formula: C4H2Cl2O3
MW: 168.96
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.96
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass167.9380993
Monoisotopic Mass167.9380993
Topological Polar Surface Area54.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes