3-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-propenoic Acid Ethyl Ester - CAS 917877-01-1
Catalog: |
BB067056 |
Product Name: |
3-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-propenoic Acid Ethyl Ester |
CAS: |
917877-01-1 |
Synonyms: |
ETHYL 3-[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]PROP-2-ENOATE; 2-Propenoic acid, 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester; 3-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-propenoic Acid Ethyl Ester |
IUPAC Name: | ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate |
Description: | A reactant used in the preparation of Retinol. |
Molecular Weight: | 200.23 |
Molecular Formula: | C10H16O4 |
Canonical SMILES: | CCOC(=O)C=CC1COC(O1)(C)C |
InChI: | InChI=1S/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/t8-/m1/s1 |
InChI Key: | GZVXALXOWVXZLH-MRVPVSSYSA-N |
Solubility: | CDCl3, Ethyl Acetate, Tetrahydrofuran |
Appearance: | Pale Yellow Oil |
References: | Moise, A. et al. J. Am. Chem. Soc., 130, 1154 (2008). |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.10485899 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1 |
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