| CAS Number | 1520806-99-8 |
| Catalog Number | AG01DVIP |
| Chemical Name | (3,4-dihydro-1H-2-benzopyran-7-yl)methanamine |
| IUPAC Name | 3,4-dihydro-1H-isochromen-7-ylmethanamine |
| InChI | InChI=1S/C10H13NO/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5H,3-4,6-7,11H2 |
| InChI Key | WXHISRJWGDOZLP-UHFFFAOYSA-N |
| MDL Number | MFCD26670283 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | NCC1=CC2=C(CCOC2)C=C1 |
| Synonyms | 3,4-DIHYDRO-1H-2-BENZOPYRAN-7-YLMETHANAMINE,
1520806-99-8,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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