| CAS Number | 204781-71-5 |
| Catalog Number | AG0029PC(AGN-PC-02RCY1) |
| Chemical Name | 1-(3-Hydroxy-2-methoxyphenyl)ethanone |
| IUPAC Name | 1-(3-hydroxy-2-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H10O3/c1-6(10)7-4-3-5-8(11)9(7)12-2/h3-5,11H,1-2H3 |
| InChI Key | HHMHGDYDDWMTSX-UHFFFAOYSA-N |
| MDL Number | MFCD27958431 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | COc1c(O)cccc1C(=O)C |
| Synonyms | 1-(3-Hydroxy-2-methoxyphenyl)ethanone,
204781-71-5,
SCHEMBL20342786,
CTK8H5236,
HHMHGDYDDWMTSX-UHFFFAOYSA-N,
ZINC39071978,
AKOS024161392,
1-(3-Hydroxy-2-methoxyphenyl)-ethanone,
Ethanone, 1-(3-hydroxy-2-methoxyphenyl)-,
F9994-0535,
Ethanone, 1-(3-hydroxy-2-methoxyphenyl)- (9CI),
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number