2,2-Dichloro-3-oxobutanoic acid - CAS 856324-67-9
Catalog: |
BB053605 |
Product Name: |
2,2-Dichloro-3-oxobutanoic acid |
CAS: |
856324-67-9 |
Synonyms: |
Acetoacetic acid, 2,2-dichloro- (7ci) |
IUPAC Name: | 2,2-dichloro-3-oxobutanoic acid |
Molecular Weight: | 170.98 |
Molecular Formula: | C4H4Cl2O3 |
Canonical SMILES: | CC(=O)C(C(=O)O)(Cl)Cl |
InChI: | InChI=1S/C4H4Cl2O3/c1-2(7)4(5,6)3(8)9/h1H3,(H,8,9) |
InChI Key: | ZNZPITMZOPLXPU-UHFFFAOYSA-N |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.9537494 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.9537494 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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