| CAS Number | 69383-71-7 |
| Catalog Number | AG00FGXQ(AGN-PC-0NKDWF) |
| Chemical Name | Methyl 3-(dimethylcarbamoyl)benzoate |
| IUPAC Name | methyl 3-(dimethylcarbamoyl)benzoate |
| InChI | InChI=1S/C11H13NO3/c1-12(2)10(13)8-5-4-6-9(7-8)11(14)15-3/h4-7H,1-3H3 |
| InChI Key | KSHGKHGTHNEELS-UHFFFAOYSA-N |
| MDL Number | MFCD16594348 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | O=C(OC)C1=CC=CC(C(N(C)C)=O)=C1 |
| Synonyms | METHYL 3-(DIMETHYLCARBAMOYL)BENZOATE,
69383-71-7,
3-methoxycarbonyl-N,N-dimethylbenzamide,
Methyl 3-(N,N-dimethylcarbamoyl)benzoate,
SCHEMBL1256255,
CTK1H5474,
DTXSID50510462,
KSHGKHGTHNEELS-UHFFFAOYSA-N,
KM1263,
ZINC39298570,
AKOS027368316,
CJ-19916,
3-(N,N-Dimethylamino carbonyl)benzoic acid, methyl ester,
Benzoic acid, 3-[(dimethylamino)carbonyl]-, methyl ester,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number