1,3-Benzodioxole-4-carbaldehyde O-methyloxime
-
CAS Number 1820748-72-8
-
Catalog Number io-406799
-
Molecular Weight 179.1700
-
SMILES CON=CC1=C2C(=CC=C1)OCO2
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
No description available for this item
| 1 | 1,3-Benzodioxole-4-carbaldehyde O-methyloxime |
| 2 | (Z)-1-(1,3-benzodioxol-4-yl)-N-methoxymethanimine |
| 3 | Benzo[d][1,3]dioxole-4-carbaldehyde O-methyl oxime |
| 4 | BS-31727 |
| Molecular Formula | C9H9NO3 |
|---|---|
| Canonical SMILES | CON=CC1=C2C(=CC=C1)OCO2 |
| Isomeric SMILES | CO/N=C\C1=C2C(=CC=C1)OCO2 |
| Molecular Weight | 179.1700 |
| InChIKey | FKXVNULOVRABQM-YHYXMXQVSA-N |
| InChI | InChI=1S/C9H9NO3/c1-11-10-5-7-3-2-4-8-9(7)13-6-12-8/h2-5H,6H2,1H3/b10-5- |
| XLogP | 1.8000 |
| ExactMass | 179.0582 |
| MonoisotopicMass | 179.0582 |
| TPSA | 40.1000 |
| Complexity | 195.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
