|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexa-1,4-diene-1-carbaldehyde , 4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexa-1,4-dienecarboxaldehyde , 4-hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde , 2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexa-1,4-diene-1-carbaldehyde , 4-hydroxy-3-keto-2,6,6-trimethyl-cyclohexa-1,4-diene-1-carbaldehyde
|
| Smiles: |
O=CC1=C(C)C(=O)C(=CC1(C)C)O
|
| InChi : |
InChI=1S/C10H12O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h4-5,12H,1-3H3
|
| InChi Key : |
InChIKey=COUDKMJLVVETJL-UHFFFAOYSA-N
|
| PubChem ID : |
15715950
|
|
|
|
| Rotatable bond count : |
1
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
3
|
Ionization potential : |
9.713831
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
2.382
|
| XLogP : |
1.829
|
VDW volume : |
184.984692
|
| Molecular weight : |
180.078644
|
HOMO-LUMO gap : |
8.635000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|