3-Methyl-1-oxo-isochroman-3-carboxylic acid methyl ester
methyl 3-methyl-1-oxo-4H-isochromene-3-carboxylate
Also Known As: ChemDiv2_002107|NCGC00331895-01|methyl 3-methyl-1-oxoisochromane-3-carboxylate|J2.764.365E|methyl 3-methyl-1-oxoisochroman-3-carboxylate|3-methyl-1-oxo-isochroman-3-carboxylic acid methyl ester|methyl 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate|methyl 3-methyl-1-oxo-4H-isochromene-3-carboxylate|AB00352412-04|methyl 3-methyl-1-oxo-isochromane-3-carboxylate|methyl 3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylate|1-Oxo-3-methyl-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid methyl ester
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07356 g/mol |
| LogP | 1.3312 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07356 |
| Monoisotopic Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 452.0869 |
Chemical Identifiers
| CAS Number | 27979-45-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OC |
Product Overview
3-Methyl-1-oxo-isochroman-3-carboxylic acid methyl ester (CAS 27979-45-9), with molecular formula C12H12O4 and molecular weight 220.07356 g/mol. IUPAC: methyl 3-methyl-1-oxo-4H-isochromene-3-carboxylate.
3-Methyl-1-oxo-isochroman-3-carboxylic acid methyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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