859668-98-7
Product Name:
RIKEN Natural Product Derivative (NPD) 4456
Formula:
C21H21NO6
Synonyms:
Dimethyl-carbamic acid 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (9CI);RIKEN Natural Product Derivative (NPD) 4456
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 383.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 383.13688739 g/mol |
| Monoisotopic Mass | 383.13688739 g/mol |
| Topological Polar Surface Area | 74.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 630 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |