7,8-Diacetoxy-4-methylcoumarin - CAS 68454-15-9
Catalog: |
BB053604 |
Product Name: |
7,8-Diacetoxy-4-methylcoumarin |
CAS: |
68454-15-9 |
Synonyms: |
7,8-diacetoxy-4-methylcoumarin |
IUPAC Name: | (8-acetyloxy-4-methyl-2-oxochromen-7-yl) acetate |
Molecular Weight: | 276.24 |
Molecular Formula: | C14H12O6 |
Canonical SMILES: | CC1=CC(=O)OC2=C1C=CC(=C2OC(=O)C)OC(=O)C |
InChI: | InChI=1S/C14H12O6/c1-7-6-12(17)20-13-10(7)4-5-11(18-8(2)15)14(13)19-9(3)16/h4-6H,1-3H3 |
InChI Key: | BENRIKOGQFXSRY-UHFFFAOYSA-N |
Complexity: | 466 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.0633881 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.0633881 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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