Methyl 1,4-Benzodioxan-6-carboxylate - CAS 20197-75-5
Catalog: |
BB015708 |
Product Name: |
Methyl 1,4-Benzodioxan-6-carboxylate |
CAS: |
20197-75-5 |
Synonyms: |
2,3-dihydro-1,4-benzodioxin-6-carboxylic acid methyl ester; methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate |
IUPAC Name: | methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate |
Description: | Methyl 1,4-Benzodioxan-6-carboxylate (CAS# 20197-75-5) is a useful research chemical. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)OCCO2 |
InChI: | InChI=1S/C10H10O4/c1-12-10(11)7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6H,4-5H2,1H3 |
InChI Key: | GYUXWAIDEGEMEE-UHFFFAOYSA-N |
Boiling Point: | 292.5 ℃ at 760 mmHg |
Density: | 1.242 g/cm3 |
LogP: | 1.24440 |
Publication Number | Title | Priority Date |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
US-2021101911-A1 | Benzoxazinone compounds as klk5/7 dual inhibitors | 20191001 |
WO-2021067335-A1 | Benzoxazinone compounds as klk5/7 dual inhibitors | 20191001 |
WO-2020011246-A1 | Benzene ring-containing compound, preparation method therefor and application thereof | 20180713 |
CN-107383024-A | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0579088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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