Home Halogens 5,5-dichloropenta-2,4-dienoic acid

5,5-dichloropenta-2,4-dienoic acid

CAS No.:
26561-48-8
Catalog Number:
AG01B5PQ
Molecular Formula:
C5H4Cl2O2
Molecular Weight:
166.9901
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Product Description
Catalog Number:
AG01B5PQ
Chemical Name:
5,5-dichloropenta-2,4-dienoic acid
CAS Number:
26561-48-8
Molecular Formula:
C5H4Cl2O2
Molecular Weight:
166.9901
MDL Number:
MFCD20692328
IUPAC Name:
5,5-dichloropenta-2,4-dienoic acid
InChI:
InChI=1S/C5H4Cl2O2/c6-4(7)2-1-3-5(8)9/h1-3H,(H,8,9)
InChI Key:
PBDIUDVEVWAORP-UHFFFAOYSA-N
SMILES:
ClC(=CC=CC(=O)O)Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.959g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.985g/mol
Monoisotopic Mass:
165.959g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  
Properties