|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
2-hydroxy-4,4,6-trimethyl-cyclohexa-2,5-dien-1-one , 2-hydroxy-4,4,6-trimethyl-1-cyclohexa-2,5-dienone , 2-hydroxy-4,4,6-trimethylcyclohexa-2,5-dien-1-one , 2,4,4-trimethyl-6-oxidanyl-cyclohexa-2,5-dien-1-one
|
| Smiles: |
CC1=CC(C)(C)C=C(C1=O)O
|
| InChi : |
InChI=1S/C9H12O2/c1-6-4-9(2,3)5-7(10)8(6)11/h4-5,10H,1-3H3
|
| InChi Key : |
InChIKey=GKOBUKITZSFCJC-UHFFFAOYSA-N
|
| PubChem ID : |
642486
|
|
|
|
| Rotatable bond count : |
0
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
2
|
Ionization potential : |
9.527184
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
3.398
|
| XLogP : |
2.508
|
VDW volume : |
161.534939
|
| Molecular weight : |
152.08373
|
HOMO-LUMO gap : |
8.811000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|