| CAS Number | 1209421-99-7 |
| Catalog Number | AG019XOS |
| Chemical Name | 6-(2-methoxyethoxy)-2H-1,3-benzodioxole-5-carbaldehyde |
| IUPAC Name | 6-(2-methoxyethoxy)-1,3-benzodioxole-5-carbaldehyde |
| InChI | InChI=1S/C11H12O5/c1-13-2-3-14-9-5-11-10(15-7-16-11)4-8(9)6-12/h4-6H,2-3,7H2,1H3 |
| InChI Key | PPTLRUZOTPPBBB-UHFFFAOYSA-N |
| MDL Number | MFCD13196247 |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.2100 |
| SMILES | COCCOC1=C(C=O)C=C2C(OCO2)=C1 |
| Synonyms | 6-(2-methoxyethoxy)-2H-1,3-benzodioxole-5-carbaldehyde,
1209421-99-7,
AC1Q4GAJ,
CTK7B3692,
ZINC38342454,
AKOS010878035,
MCULE-6223665033,
NE47837,
NCGC00327651-01,
EN300-55641,
AB01322939-02,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.212g/mol |
| Monoisotopic Mass | 224.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number