| CAS Number | 933694-70-3 |
| Catalog Number | AG01DWVL |
| Chemical Name | 3,4-dihydro-1H-2-benzopyran-6-carbaldehyde |
| IUPAC Name | 3,4-dihydro-1H-isochromene-6-carbaldehyde |
| InChI | InChI=1S/C10H10O2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-2,5-6H,3-4,7H2 |
| InChI Key | USZXFOAGCYIPAQ-UHFFFAOYSA-N |
| MDL Number | MFCD18416382 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | O=CC1=CC2=C(COCC2)C=C1 |
| Synonyms | Isochromane-6-carbaldehyde,
933694-70-3,
3,4-dihydro-1H-2-benzopyran-6-carbaldehyde,
1H-2-Benzopyran-6-carboxaldehyde, 3,4-dihydro-,
SCHEMBL6628521,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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