| CAS Number | 260786-00-3 |
| Catalog Number | AG00IQLB(AGN-PC-0R1ZIW) |
| Chemical Name | 1-(7-Methoxy-1-benzofuran-2-yl)-1-ethanol |
| IUPAC Name | 1-(7-methoxy-1-benzofuran-2-yl)ethanol |
| InChI | InChI=1S/C11H12O3/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-7,12H,1-2H3 |
| InChI Key | TWTVUBWIPNITCU-UHFFFAOYSA-N |
| MDL Number | MFCD02082714 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | O2(C1(=C(OC)C=CC=C1C=C2C(O)C)) |
| Synonyms | 260786-00-3,
1-(7-methoxy-1-benzofuran-2-yl)ethan-1-ol,
1-(7-methoxy-1-benzofuran-2-yl)-1-ethanol,
1-(7-methoxy-1-benzofuran-2-yl)ethanol,
1-(7-methoxybenzofuran-2-yl)ethanol,
AC1MW7DQ,
Bionet2_000597,
Oprea1_544273,
CTK7B0434,
HMS1365L03,
KS-00001T1O,
MFCD02082714,
AKOS000126591,
AKOS016339675,
MCULE-5744595316,
12P-617,
ZINC04060891,
CID3695012,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number