| CAS Number | 219539-06-7 |
| Catalog Number | AG006YFY(AGN-PC-0QYG66) |
| Chemical Name | 1-(3-(Hydroxymethyl)-4-methoxyphenyl)ethanone |
| IUPAC Name | 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone |
| InChI | InChI=1S/C10H12O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-5,11H,6H2,1-2H3 |
| InChI Key | XAQOWKKOGGBPBU-UHFFFAOYSA-N |
| MDL Number | MFCD00276118 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | COC1=C(CO)C=C(C(C)=O)C=C1 |
| Synonyms | 1-[3-(hydroxymethyl)-4-methoxyphenyl]ethan-1-one,
219539-06-7,
CTK4E8029,
DTXSID60405597,
ZINC6761641,
AKOS000126057,
MCULE-8948060921,
NE61851,
EN300-51653,
J-014369,
CID4689851,
1-[3-(hydroxymethyl)-4-methoxy-phenyl]ethanone,
Ethanone,1-[3-(hydroxymethyl)-4-methoxyphenyl]-,
1-(3-(Hydroxymethyl)-4-methoxyphenyl)ethanone,
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone,
AC1NFVBE,
AC1Q45JM,
AC1Q45JN,
1-(3-Hydroxymethyl-4-Methoxy-Phenyl)-Ethanone,
SCHEMBL14003532,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number