| CAS Number | 858981-15-4 |
| Catalog Number | AG00IDT5(AGN-PC-02KP9X) |
| Chemical Name | 3-(Dimethylcarbamoyl)benzoic acid |
| IUPAC Name | 3-(dimethylcarbamoyl)benzoic acid |
| InChI | InChI=1S/C10H11NO3/c1-11(2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6H,1-2H3,(H,13,14) |
| InChI Key | WBZUWTTYEQKRHF-UHFFFAOYSA-N |
| MDL Number | MFCD12173495 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CN(C(=O)c1cccc(c1)C(=O)O)C |
| Synonyms | 3-(dimethylcarbamoyl)benzoic acid,
858981-15-4,
AC1Q3VXN,
SCHEMBL1255459,
WBZUWTTYEQKRHF-UHFFFAOYSA-N,
MFCD12173495,
ZINC35347716,
3-(N,N-dimethylcarbamoyl)benzoic acid,
AKOS008132005,
MCULE-7070390766,
NE42343,
BS-13970,
Benzoic acid, 3-[(dimethylamino)carbonyl]-,
CS-0038796,
EN300-68424,
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| Complexity | 238 |
| 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 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number