| CAS Number | 115414-80-7 |
| Catalog Number | AG009608(AGN-PC-000QZF) |
| Chemical Name | 4-(Methoxymethyl)phenylacetic acid methyl ester |
| IUPAC Name | methyl 2-[4-(methoxymethyl)phenyl]acetate |
| InChI | InChI=1S/C11H14O3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3 |
| InChI Key | PICKHCWVNHPTSX-UHFFFAOYSA-N |
| MDL Number | MFCD12674804 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | COC(CC1=CC=C(C=C1)COC)=O |
| Synonyms | Methyl 4-(methoxymethyl)phenylacetate,
115414-80-7,
methyl 2-[4-(methoxymethyl)phenyl]acetate,
Methyl 2-(4-(methoxymethyl)phenyl)acetate,
4-(Methoxymethyl)phenylacetic acid methyl ester,
Methyl [4-(methoxymethyl)phenyl]acetate,
CTK4D6755,
DTXSID60557540,
KS-00002A3E,
ZX-AT006156,
MFCD12674804,
ZINC36532857,
AKOS026675476,
OR19481,
PS-4094,
ACM17833566,
17833-56-6,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number