(E)-Methyl 3-(2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-7-yl)acrylate - CAS 1261399-00-1
Catalog: |
BB059767 |
Product Name: |
(E)-Methyl 3-(2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-7-yl)acrylate |
CAS: |
1261399-00-1 |
Synonyms: |
(E)-Methyl 3-(2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-7-yl)acrylate; methyl (E)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)prop-2-enoate; Methyl (E)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)acrylate; Methyl 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)acrylate |
IUPAC Name: | methyl (E)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)prop-2-enoate |
Description: | (E)-Methyl 3-(2,3-dihydro-[1,4]dioxino-[2,3-b]pyridin-7-yl)acrylate |
Molecular Weight: | 221.2 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | COC(=O)C=CC1=CC2=C(N=C1)OCCO2 |
InChI: | InChI=1S/C11H11NO4/c1-14-10(13)3-2-8-6-9-11(12-7-8)16-5-4-15-9/h2-3,6-7H,4-5H2,1H3/b3-2+ |
InChI Key: | KTCAKRYTQIXGKW-NSCUHMNNSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 221.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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