| CAS Number | 78587-80-1 |
| Catalog Number | AG00G3UN(AGN-PC-0NIW08) |
| Chemical Name | 2-(1H-Benzo[d]imidazol-2-yl)malonaldehyde |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)propanedial |
| InChI | InChI=1S/C10H8N2O2/c13-5-7(6-14)10-11-8-3-1-2-4-9(8)12-10/h1-7H,(H,11,12) |
| InChI Key | QGYYFDCJOLNJTI-UHFFFAOYSA-N |
| MDL Number | MFCD08691278 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | O=CC(C1=NC2=CC=CC=C2N1)C=O |
| Synonyms | 78587-80-1,
1H-benzimidazol-2-ylmalonaldehyde,
2-(1H-1,3-benzodiazol-2-yl)propanedial,
Propanedial, 1H-benzimidazol-2-yl- (9CI),
AC1Q6PKM,
DTXSID90496110,
(1H-Benzimidazol-2-yl)propanedial,
ZINC100177065,
Propanedial,2-(1H-benzimidazol-2-yl)-,
2-(1H-Benzo[d]imidazol-2-yl)-propanedial,
2-(1H-Benzo[d]imidazol-2-yl)malonaldehyde,
EN300-26295,
J-505340,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number