rac-Viridifloric Acid - CAS 466-18-2
Catalog: |
BB056913 |
Product Name: |
rac-Viridifloric Acid |
CAS: |
466-18-2 |
Synonyms: |
2,3-Dihydroxy-2-isopropylbutanoic Acid; 2,3-Dihydroxy-2-(1-methylethyl)butanoic Acid; 2,3-Dihydroxy-2-isopropylbutyric Acid; 2,3-Dihydroxy-2-(1-methylethyl)butanoic Acid; 2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic Acid |
Related CAS: | 23944-47-0
|
IUPAC Name: | 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid |
Description: | rac-Viridifloric Acid is the necic acid of viridiflorine, an alkaloid found in Cynoglossum viridiflorum. |
Molecular Weight: | 162.18 |
Molecular Formula: | C7H14O4 |
Canonical SMILES: | CC(C)C(C(C)O)(C(=O)O)O |
InChI: | InChI=1S/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10) |
InChI Key: | KXEISHUBUXWXGY-UHFFFAOYSA-N |
References: | Adams, R., Hertz, W. J. Am. Chem. Soc., 72, 155 (1950). |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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