| CAS Number | 1344939-13-4 |
| Catalog Number | AG01C98N(AGN-PC-0WOEUH) |
| Chemical Name | (1S)-1-(2,3-Dihydro-1-benzofuran-5-yl)ethan-1-ol |
| IUPAC Name | (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol |
| InChI | InChI=1S/C10H12O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6-7,11H,4-5H2,1H3/t7-/m0/s1 |
| InChI Key | WCRSIAJZAWLIAS-ZETCQYMHSA-N |
| MDL Number | MFCD18339560 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | C[C@@H](C1=CC2=C(OCC2)C=C1)O |
| Synonyms | (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-ol,
1344939-13-4,
ZINC37180238,
AKOS012669974,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.08373g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.2g/mol |
| Monoisotopic Mass | 164.08373g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number