| CAS Number | 1010797-03-1 |
| Catalog Number | AG01AAUO |
| Chemical Name | 3-[ethyl(methyl)carbamoyl]benzoic acid |
| IUPAC Name | 3-[ethyl(methyl)carbamoyl]benzoic acid |
| InChI | InChI=1S/C11H13NO3/c1-3-12(2)10(13)8-5-4-6-9(7-8)11(14)15/h4-7H,3H2,1-2H3,(H,14,15) |
| InChI Key | CSLSZOVRYWBAAJ-UHFFFAOYSA-N |
| MDL Number | MFCD12173497 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CCN(C(C1=CC(C(O)=O)=CC=C1)=O)C |
| Synonyms | 3-[ethyl(methyl)carbamoyl]benzoic acid,
1010797-03-1,
AC1Q2YOA,
ZINC35347755,
AKOS008132006,
MCULE-5917505517,
NE33260,
EN300-69627,
Z1259273129,
|
| Complexity | 252 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number