2,7-Dihydroxy-6-methyl-8-methoxy-1-naphthalenecarbaldehyde
PubChem CID: 9991528
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,7-dihydroxy-6-methyl-8-methoxy-1-naphthalenecarbaldehyde |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxy-8-methoxy-6-methylnaphthalene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C13H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KCZYFSGCRGWJHZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.525 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.197 |
| Compound Name | 2,7-Dihydroxy-6-methyl-8-methoxy-1-naphthalenecarbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.353451117647058 |
| Inchi | InChI=1S/C13H12O4/c1-7-5-8-3-4-10(15)9(6-14)11(8)13(17-2)12(7)16/h3-6,15-16H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C(C=C2)O)C=O)C(=C1O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Avicennae (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Abutilon Fruiticosum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Abutilon Grandiflorum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Abutilon Grandifolium (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Abutilon Graveolens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Abutilon Hirtum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Abutilon Indicum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Abutilon Pakistanicum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Abutilon Pannosum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Abutilon Persicum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Abutilon Ramosum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Abutilon Theophrasti (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all