30095-79-5
Product Name:
4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-NITRO-4-OXO-, ETHYL ESTER
Formula:
C12H9NO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 263.20 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 263.04298701 g/mol |
| Monoisotopic Mass | 263.04298701 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 438 |
| 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 |