Methyl 1,3-Benzodioxole-4-carboxylate - CAS 33842-16-9
Catalog: |
BB021856 |
Product Name: |
Methyl 1,3-Benzodioxole-4-carboxylate |
CAS: |
33842-16-9 |
Synonyms: |
1,3-benzodioxole-4-carboxylic acid methyl ester; methyl 1,3-benzodioxole-4-carboxylate |
IUPAC Name: | methyl 1,3-benzodioxole-4-carboxylate |
Description: | Methyl 1,3-Benzodioxole-4-carboxylate (CAS# 33842-16-9) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)OCO2 |
InChI: | InChI=1S/C9H8O4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-4H,5H2,1H3 |
InChI Key: | KRPFJCUXHWEVMS-UHFFFAOYSA-N |
Boiling Point: | 280.1 °C at 760 mmHg |
Density: | 1.3 g/cm3 |
LogP: | 1.20190 |
Publication Number | Title | Priority Date |
WO-2020108500-A1 | Histone acetylase p300 inhibitor and use thereof | 20181127 |
CA-2975192-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
CN-107428696-A | Sulfonylureas and related compound and application thereof | 20150216 |
EP-3259253-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
EP-3578547-A1 | Sulfonylureas and related compounds and use of same | 20150216 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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