| CAS Number | 34231-49-7 |
| Catalog Number | AG01AAEE(AGN-PC-0NFT3Y) |
| Chemical Name | 4-(Dimethylcarbamoyl)benzoic acid |
| IUPAC Name | 4-(dimethylcarbamoyl)benzoic acid |
| InChI | InChI=1S/C10H11NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14) |
| InChI Key | LHIJETBHEKJGOK-UHFFFAOYSA-N |
| MDL Number | MFCD12173494 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CN(C(C1=CC=C(C(O)=O)C=C1)=O)C |
| Synonyms | 4-(dimethylcarbamoyl)benzoic Acid,
34231-49-7,
4-(N,N-dimethylaminocarbonyl)benzoic acid,
Benzoic acid, 4-[(dimethylamino)carbonyl]-,
AC1Q3VY3,
SCHEMBL458926,
4-dimethylcarbamoylbenzoic acid,
LHIJETBHEKJGOK-UHFFFAOYSA-N,
ZINC35347715,
4-(Dimethylaminocarbonyl)benzoic acid,
AKOS009498769,
MCULE-4811527370,
NE34495,
EN300-68370,
Z1259273192,
CID11095480,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number