| CAS Number | 71475-45-1 |
| Catalog Number | AG01EX2L(AGN-PC-0LC97B) |
| Chemical Name | Ethyl 2-(4-ethylphenoxy)acetate |
| IUPAC Name | ethyl 2-(4-ethylphenoxy)acetate |
| InChI | InChI=1S/C12H16O3/c1-3-10-5-7-11(8-6-10)15-9-12(13)14-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | CMUWQYNXOALYPI-UHFFFAOYSA-N |
| MDL Number | MFCD03419388 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | C(OCC)(COC1C=CC(=CC=1)CC)=O |
| Synonyms | ethyl 2-(4-ethylphenoxy)acetate,
71475-45-1,
(4-Ethyl-phenoxy)-acetic acid ethyl ester,
AC1NBX2I,
ethyl 4-ethylphenoxyacetate,
ethyl (4-ethylphenoxy)acetate,
SCHEMBL5202817,
CTK2G2585,
DTXSID40403733,
CMUWQYNXOALYPI-UHFFFAOYSA-N,
ZINC2549395,
STK399861,
AKOS000308061,
MCULE-1585615882,
(4-Ethylphenoxy)acetic acid ethyl ester,
ST50600634,
Acetic acid, (4-ethylphenoxy)-, ethyl ester,
ZINC02549395,
CID4501432,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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