| CAS Number | 82807-42-9 |
| Catalog Number | AG01BVTR(AGN-PC-0NDO9L) |
| Chemical Name | 1-(3-methoxyphenyl)ethane-1,2-diol |
| IUPAC Name | 1-(3-methoxyphenyl)ethane-1,2-diol |
| InChI | InChI=1S/C9H12O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9-11H,6H2,1H3 |
| InChI Key | BEELBVBCHQSTKQ-UHFFFAOYSA-N |
| MDL Number | MFCD21880423 |
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.1898 |
| SMILES | COC1=CC(C(CO)O)=CC=C1 |
| Synonyms | 1-(3-methoxyphenyl)ethane-1,2-diol,
82807-42-9,
3-methoxyphenylethylenglycol,
1-(3-Methoxyphenyl)-1,2-ethanediol,
AKOS019066795,
Z2689031548,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.192g/mol |
| Monoisotopic Mass | 168.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number