| CAS Number | 126926-38-3 |
| Catalog Number | AG009EY4(AGN-PC-0PIG9H) |
| Chemical Name | Methyl 3-(diethylcarbamoyl)benzoate |
| IUPAC Name | methyl 3-(diethylcarbamoyl)benzoate |
| InChI | InChI=1S/C13H17NO3/c1-4-14(5-2)12(15)10-7-6-8-11(9-10)13(16)17-3/h6-9H,4-5H2,1-3H3 |
| InChI Key | IDCIKRQWQOPCOZ-UHFFFAOYSA-N |
| MDL Number | MFCD09234635 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | CCN(CC)C(=O)c1cccc(c1)C(=O)OC |
| Synonyms | methyl 3-(diethylcarbamoyl)benzoate,
126926-38-3,
Benzoic acid, 3-((diethylamino)carbonyl)-, methyl ester,
Methyl 3-((diethylamino)carbonyl)benzoate,
AC1L4BLN,
3-[(Diethylamino)carbonyl]benzoic Acid Methyl Ester,
DTXSID40155341,
ZINC5845984,
CJ-12769,
C13-H17-N-O3,
CID182772,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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