Ethyl 8-methyl-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate - CAS 351003-39-9
Catalog: |
BB022448 |
Product Name: |
Ethyl 8-methyl-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate |
CAS: |
351003-39-9 |
Synonyms: |
ethyl 8-methyl-4H-thieno[3,2-c]chromene-2-carboxylate |
IUPAC Name: | ethyl 8-methyl-4H-thieno[3,2-c]chromene-2-carboxylate |
Description: | Ethyl 8-methyl-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate (CAS# 351003-39-9 ) is a useful research chemical. |
Molecular Weight: | 274.33 |
Molecular Formula: | C15H14O3S |
Canonical SMILES: | CCOC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)C)OC2 |
InChI: | InChI=1S/C15H14O3S/c1-3-17-15(16)13-7-10-8-18-12-5-4-9(2)6-11(12)14(10)19-13/h4-7H,3,8H2,1-2H3 |
InChI Key: | CKYQIEPRZRXATF-UHFFFAOYSA-N |
Boiling Point: | 455.4 °C at 760 mmHg |
Density: | 1.262 g/cm3 |
MDL: | MFCD03427167 |
LogP: | 3.79260 |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.06636548 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.06636548 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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