3-[(3-oxobutan-2-yl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-[(3-oxobutan-2-yl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-[(3-oxobutan-2-yl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
Compound ID: | Y040-0850 |
Compound Name: | 3-[(3-oxobutan-2-yl)oxy]-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
Molecular Weight: | 300.35 |
Molecular Formula: | C18 H20 O4 |
Smiles: | CC(C(C)=O)Oc1ccc2C3CCCCCC=3C(=O)Oc2c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7124 |
logD: | 3.7124 |
logSw: | -3.9201 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 42.028 |
InChI Key: | YPNTWZPSZSYNCY-LBPRGKRZSA-N |