| CAS Number | 874754-26-4 |
| Catalog Number | AG019OV3 |
| Chemical Name | 3-(2-oxo-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid |
| IUPAC Name | 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoic acid |
| InChI | InChI=1S/C13H16N2O3/c1-2-8-14-10-5-3-4-6-11(10)15(13(14)18)9-7-12(16)17/h3-6H,2,7-9H2,1H3,(H,16,17) |
| InChI Key | VYSGOOOFHJWDHZ-UHFFFAOYSA-N |
| MDL Number | MFCD07689458 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | CCCN1C2=C(C=CC=C2)N(CCC(O)=O)C1=O |
| Synonyms | 3-(2-oxo-3-propyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid,
874754-26-4,
3-(2-oxo-3-propyl-2,3-dihydro-1H-benzimidazol-1-yl)propanoic acid,
AC1OFLQ3,
AC1Q2XTI,
CTK6E4407,
ZINC4218901,
AKOS008065343,
MCULE-7254340669,
NE38542,
EN300-15343,
3-(2-oxo-3-propylbenzimidazol-1-yl)propanoic acid,
Z139720844,
CID7131560,
3-(2-oxo-3-propyl-benzoimidazol-1-yl)propanoic Acid,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.282g/mol |
| Monoisotopic Mass | 248.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number