| CAS Number | 1016890-44-0 |
| Catalog Number | AG019N5S |
| Chemical Name | 2-[(3-Methoxyphenyl)methoxy]propanoic acid |
| IUPAC Name | 2-[(3-methoxyphenyl)methoxy]propanoic acid |
| InChI | InChI=1S/C11H14O4/c1-8(11(12)13)15-7-9-4-3-5-10(6-9)14-2/h3-6,8H,7H2,1-2H3,(H,12,13) |
| InChI Key | XWFWSKGMKJMPHJ-UHFFFAOYSA-N |
| MDL Number | MFCD09935962 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | COC1=CC(COC(C(O)=O)C)=CC=C1 |
| Synonyms | 2-[(3-methoxyphenyl)methoxy]propanoic acid,
2-[(3-methoxybenzyl)oxy]propanoic acid,
1016890-44-0,
AC1Q48HW,
CTK7A9498,
AKOS000178184,
AKOS030702922,
MCULE-2192923809,
NE14640,
EN300-39462,
Z1222285087,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number