| CAS Number | 412338-41-1 |
| Catalog Number | AG00CWMT |
| Chemical Name | 3,4-Dihydro-1H-isochromen-6-ol |
| IUPAC Name | 3,4-dihydro-1H-isochromen-6-ol |
| InChI | InChI=1S/C9H10O2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,10H,3-4,6H2 |
| InChI Key | YXPMZDNYHFWZJI-UHFFFAOYSA-N |
| MDL Number | MFCD18416390 |
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.1745 |
| SMILES | OC1=CC2=C(COCC2)C=C1 |
| Synonyms | isochroman-6-ol,
412338-41-1,
1H-2-Benzopyran-6-ol, 3,4-dihydro- (9CI),
SCHEMBL6988847,
3,4-dihydro-1H-isochromen-6-ol,
3,4-dihydro-1H-2-benzopyran-6-ol,
AKOS024049526,
1H-2-Benzopyran-6-ol,3,4-dihydro-,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.177g/mol |
| Monoisotopic Mass | 150.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number