Methyl 7-Methoxybenzodioxole-5-carboxylate - CAS 22934-58-3
Catalog: |
BB017828 |
Product Name: |
Methyl 7-Methoxybenzodioxole-5-carboxylate |
CAS: |
22934-58-3 |
Synonyms: |
7-methoxy-1,3-benzodioxole-5-carboxylic acid methyl ester; methyl 7-methoxy-1,3-benzodioxole-5-carboxylate |
IUPAC Name: | methyl 7-methoxy-1,3-benzodioxole-5-carboxylate |
Description: | Methyl 7-Methoxybenzodioxole-5-carboxylate (CAS# 22934-58-3) is an intermediate in the synthesis of natural dihydrostilbenes with significant cytotoxicity toward human cancer cell lines. |
Molecular Weight: | 210.18 |
Molecular Formula: | C10H10O5 |
Canonical SMILES: | COC1=CC(=CC2=C1OCO2)C(=O)OC |
InChI: | InChI=1S/C10H10O5/c1-12-7-3-6(10(11)13-2)4-8-9(7)15-5-14-8/h3-4H,5H2,1-2H3 |
InChI Key: | DQQKIGXHWZLSCW-UHFFFAOYSA-N |
LogP: | 1.21050 |
Publication Number | Title | Priority Date |
US-10363239-B2 | Method for inhibiting growth of cancer cells | 20131008 |
US-2015148318-A1 | Method for inhibiting growth of cancer cells | 20131008 |
US-9433604-B2 | Method for inhibiting growth of cancer cells | 20131008 |
WO-2015054027-A1 | Method for inhibiting growth of cancer cells | 20131008 |
EP-3791875-A1 | Method for inhibiting growth of cancer cells | 20131008 |
PMID | Publication Date | Title | Journal |
12947615 | 20010401 | [The structures and characteristic infrared spectra of beta-DDB and its derivatives] | Guang pu xue yu guang pu fen xi = Guang pu |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.05282342 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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