| CAS Number | 5468-99-5 |
| Catalog Number | AG01EHYB(AGN-PC-0JNBI6) |
| Chemical Name | propyl 4-ethoxybenzoate |
| IUPAC Name | propyl 4-ethoxybenzoate |
| InChI | InChI=1S/C12H16O3/c1-3-9-15-12(13)10-5-7-11(8-6-10)14-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | UBFURIBAHZENPU-UHFFFAOYSA-N |
| MDL Number | MFCD12178101 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | CCCOC(=O)c1ccc(cc1)OCC |
| Synonyms | propyl 4-ethoxybenzoate,
5468-99-5,
NSC8243,
AC1L5BO7,
SCHEMBL946820,
AC1Q66N2,
CTK5A2289,
DTXSID80278568,
NSC-8243,
NSC15694,
ZINC1586512,
NSC-15694,
AKOS005766684,
AR-1L2400,
CID222348,
6328-86-5,
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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 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number