| CAS Number | 1178618-15-9 |
| Catalog Number | AG01B85W(AGN-PC-0WOQ9N) |
| Chemical Name | (4-amino-3,4-dihydro-2H-1-benzopyran-4-yl)methanol |
| IUPAC Name | (4-amino-2,3-dihydrochromen-4-yl)methanol |
| InChI | InChI=1S/C10H13NO2/c11-10(7-12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2 |
| InChI Key | ZOIFHRNZUASICF-UHFFFAOYSA-N |
| MDL Number | MFCD12827117 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | NC1(C2=C(C=CC=C2)OCC1)CO |
| Synonyms | 1178618-15-9,
(4-amino-3,4-dihydro-2H-chromen-4-yl)methanol,
(4-amino-3,4-dihydro-2H-1-benzopyran-4-yl)methanol,
SCHEMBL18150862,
AKOS010284644,
(4-AMINOCHROMAN-4-YL)METHANOL,
BS-12491,
(4-Amino-chroman-4-yl)-methanol,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number