3-Bromo-4-oxopentanoic Acid
Catalog: |
BB062003 |
Product Name: |
3-Bromo-4-oxopentanoic Acid |
Synonyms: |
3-Bromo-4-oxopentanoic acid; 3-bromo-4-oxovaleric acid |
IUPAC Name: | 3-bromo-4-oxopentanoic acid |
Molecular Weight: | 195.01 |
Molecular Formula: | C5H7BrO3 |
Canonical SMILES: | CC(=O)C(CC(=O)O)Br |
InChI: | InChI=1S/C5H7BrO3/c1-3(7)4(6)2-5(8)9/h4H,2H2,1H3,(H,8,9) |
InChI Key: | KRKYEJDDGKKCHC-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Oil Yellow Oil |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.95786 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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