Methyl 4-Oxo-4H-chromene-2-carboxylate - CAS 18398-73-7
Catalog: |
BB014112 |
Product Name: |
Methyl 4-Oxo-4H-chromene-2-carboxylate |
CAS: |
18398-73-7 |
Synonyms: |
4-oxo-1-benzopyran-2-carboxylic acid methyl ester; methyl 4-oxochromene-2-carboxylate |
IUPAC Name: | methyl 4-oxochromene-2-carboxylate |
Description: | Methyl 4-Oxo-4H-chromene-2-carboxylate (CAS# 18398-73-7) is a useful research chemical. |
Molecular Weight: | 204.18 |
Molecular Formula: | C11H8O4 |
Canonical SMILES: | COC(=O)C1=CC(=O)C2=CC=CC=C2O1 |
InChI: | InChI=1S/C11H8O4/c1-14-11(13)10-6-8(12)7-4-2-3-5-9(7)15-10/h2-6H,1H3 |
InChI Key: | WNVKMIHNAHIVDP-UHFFFAOYSA-N |
Boiling Point: | 311.3 °C at 760 mmHg |
Density: | 1.337 g/cm3 |
LogP: | 1.57960 |
Publication Number | Title | Priority Date |
WO-2021144814-A1 | Methods, processes and intermediates for preparing chroman compounds | 20200117 |
CA-2680789-A1 | Heterocyclic compounds and uses thereof in the treatment of sexual disorders | 20060328 |
CA-2680789-C | Heterocyclic compounds and uses thereof in the treatment of sexual disorders | 20060328 |
CA-2914168-A1 | Pyrido[1,2-a]pyrimidin-4-one derivatives and their use in the treatment of sexual disorders | 20060328 |
CA-2914168-C | Pyrido[1,2-a]pyrimidin-4-one derivatives and their use in the treatment of sexual disorders | 20060328 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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