| CAS Number | 13605-46-4 |
| Catalog Number | AG01BI3Z |
| Chemical Name | 2-oxo-2h-1,3-benzodioxole-5-carbaldehyde |
| IUPAC Name | 2-oxo-1,3-benzodioxole-5-carbaldehyde |
| InChI | InChI=1S/C8H4O4/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-4H |
| InChI Key | KLITYFPRKVFDCN-UHFFFAOYSA-N |
| MDL Number | MFCD24673887 |
| Molecular Formula | C8H4O4 |
| Molecular Weight | 164.1150 |
| SMILES | O=CC1=CC2=C(OC(O2)=O)C=C1 |
| Synonyms | 13605-46-4,
2-Oxo-1,3-dioxaindane-5-carbaldehyde,
2-oxo-2H-1,3-benzodioxole-5-carbaldehyde,
2-oxobenzo[d][1,3]dioxole-5-carbaldehyde,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.116g/mol |
| Monoisotopic Mass | 164.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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