Methyl 2,3-Dihydrobenzofuran-5-carboxylate - CAS 588702-80-1
Catalog: |
BB030185 |
Product Name: |
Methyl 2,3-Dihydrobenzofuran-5-carboxylate |
CAS: |
588702-80-1 |
Synonyms: |
2,3-dihydrobenzofuran-5-carboxylic acid methyl ester; methyl 2,3-dihydro-1-benzofuran-5-carboxylate |
IUPAC Name: | methyl 2,3-dihydro-1-benzofuran-5-carboxylate |
Description: | Methyl 2,3-Dihydrobenzofuran-5-carboxylate (CAS# 588702-80-1) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)OCC2 |
InChI: | InChI=1S/C10H10O3/c1-12-10(11)8-2-3-9-7(6-8)4-5-13-9/h2-3,6H,4-5H2,1H3 |
InChI Key: | QPGLJPYOFQPEEE-UHFFFAOYSA-N |
MDL: | MFCD00114411 |
LogP: | 1.40810 |
Publication Number | Title | Priority Date |
JP-2021521104-A | Substituted benzofurans, benzopyrroles, benzothiophenes, and structurally related complement inhibitors | 20180406 |
CN-107383024-A | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
CN-107383024-B | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
WO-2018045966-A1 | Imidazole-containing fused tricyclic compounds and applications thereof | 20160912 |
EP-3226689-A1 | Novel tricyclic compounds as inhibitors of mutant idh enzymes | 20141205 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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