Naphtho(2,1-g)(1,3)benzodioxole-5-carboxylic acid, 8,10-dimethoxy-, methyl ester
PubChem CID: 182432
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| Compound Synonyms | 64543-60-8, Naphtho(2,1-g)(1,3)benzodioxole-5-carboxylic acid, 8,10-dimethoxy-, methyl ester, DTXSID90214811, CHEMBL1684820, DTXCID20137302, Methyl 8,10-dimethoxynaphtho(2,1-g)(1,3)benzodioxole-5-carboxylate |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 8,10-dimethoxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PPYZEJGRAGTFLG-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -6.991 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.779 |
| Compound Name | Naphtho(2,1-g)(1,3)benzodioxole-5-carboxylic acid, 8,10-dimethoxy-, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 340.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6393522 |
| Inchi | InChI=1S/C19H16O6/c1-21-10-6-13-11(15(7-10)22-2)4-5-12-14(19(20)23-3)8-16-18(17(12)13)25-9-24-16/h4-8H,9H2,1-3H3 |
| Smiles | COC1=CC2=C(C=CC3=C2C4=C(C=C3C(=O)OC)OCO4)C(=C1)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients