2-amino-8a-methoxy-6-methyl-6,7,8,8a-tetrahydro-5H-1-benzopyran-3,4-dicarbonitrile
Chemical Structure Depiction of
2-amino-8a-methoxy-6-methyl-6,7,8,8a-tetrahydro-5H-1-benzopyran-3,4-dicarbonitrile
2-amino-8a-methoxy-6-methyl-6,7,8,8a-tetrahydro-5H-1-benzopyran-3,4-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7746 |
| Compound Name: | 2-amino-8a-methoxy-6-methyl-6,7,8,8a-tetrahydro-5H-1-benzopyran-3,4-dicarbonitrile |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C13 H15 N3 O2 |
| Smiles: | CC1CCC2(C(C1)=C(C#N)C(C#N)=C(N)O2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6044 |
| logD: | 1.6044 |
| logSw: | -1.4501 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.041 |
| InChI Key: | SQSHGYHQEMQDEV-UHFFFAOYSA-N |