COMPUTED DESCRIPTORS
| Molecular Weight | 319.31 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 319.11682065 g/mol |
| Monoisotopic Mass | 319.11682065 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 515 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-O-methylentacapone is a C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted into the corresponding methyl ether. It is an aromatic ether, a monocarboxylic acid amide, a nitrile and a member of 2-nitrophenols. It is functionally related to a 5-nitrovanillin and an entacapone.