(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid - CAS 67513-47-7
Catalog: |
BB067041 |
Product Name: |
(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid |
CAS: |
67513-47-7 |
Synonyms: |
(2E, 4E)-4,6-dimethylhepta-2,4-dienoic acid |
IUPAC Name: | (2E,4E)-4,6-dimethylhepta-2,4-dienoic acid |
Description: | (E,E)-4,6-Dimethyl-2,4-heptadienoic Acid was used as a reactant in the preparation of 3-Dienoyl tetramic acids related to the antibiotics tirandamycin and streptolydigin. |
Molecular Weight: | 154.21 |
Molecular Formula: | C9H14O2 |
Canonical SMILES: | CC(C)C=C(C)C=CC(=O)O |
InChI: | InChI=1S/C9H14O2/c1-7(2)6-8(3)4-5-9(10)11/h4-7H,1-3H3,(H,10,11)/b5-4+,8-6+ |
InChI Key: | NRLJYINWTYNQLN-DVBIZMGNSA-N |
References: | Lee, V., et. al. J. Am. Chem. Soc., 100, 4225 (1978). |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 154.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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