4-Sulfino-2-butenoic Acid - CAS 302923-02-0
Catalog: |
BB076687 |
Product Name: |
4-Sulfino-2-butenoic Acid |
CAS: |
302923-02-0 |
Synonyms: |
γ-Sulfinylcrotonic Acid |
IUPAC Name: | (E)-4-sulfinobut-2-enoic acid |
Description: | 4-Sulfino-2-butenoic Acid is an intermediate in the reaction of allylic sulfur compounds with carbon dioxide. |
Molecular Weight: | 150.15 |
Molecular Formula: | C4H6O4S |
Canonical SMILES: | C(C=CC(=O)O)S(=O)O |
InChI: | InChI=1S/C4H6O4S/c5-4(6)2-1-3-9(7)8/h1-2H,3H2,(H,5,6)(H,7,8)/b2-1+ |
InChI Key: | HJRTZZUOYKUWRN-OWOJBTEDSA-N |
References: | Piffl, M., et al. Eur. J. Org. Chem., 16, 2851 (2000). |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 149.99867984 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.99867984 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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