2,3-Methylenedioxynaphthalene
PubChem CID: 97583
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| Compound Synonyms | 2,3-Methylenedioxynaphthalene, 269-43-2, benzo[f][1,3]benzodioxole, naphtho[2,3-d][1,3]dioxole, Naphtho(2,3-d)-1,3-dioxole, Naphtho[2,3-d]-1,3-dioxole, AI3-29746, NSC 133610, NSC-133610, F2X5FA64WE, DTXSID60181405, benzo(f)(1,3)benzodioxole, 2H-naphtho[2,3-d][1,3]dioxole, UNII-F2X5FA64WE, SCHEMBL1840582, DTXCID30103896, MFCD00087799, NSC133610, AKOS024323855, 2,3-(METHYLENEDIOXY)NAPHTHALENE, SY309830 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3CCCC3CC2C1 |
| Deep Smiles | COccO5)cccc6)cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CC3OCOC3CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[f][1,3]benzodioxole |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8O2 |
| Scaffold Graph Node Bond Level | c1ccc2cc3c(cc2c1)OCO3 |
| Inchi Key | NWRWWWMEZJKVCS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-methylenedioxynaphthalene |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1 |
| Compound Name | 2,3-Methylenedioxynaphthalene |
| Exact Mass | 172.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H8O2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2 |
| Smiles | C1OC2=CC3=CC=CC=C3C=C2O1 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729