| CAS Number | 1363173-34-5 |
| Catalog Number | AG009ERL(AGN-PC-0WOZ57) |
| Chemical Name | 1-Methyl-1H-indazole-3-carboxylic Acid Anhydride |
| IUPAC Name | (1-methylindazole-3-carbonyl) 1-methylindazole-3-carboxylate |
| InChI | InChI=1S/C18H14N4O3/c1-21-13-9-5-3-7-11(13)15(19-21)17(23)25-18(24)16-12-8-4-6-10-14(12)22(2)20-16/h3-10H,1-2H3 |
| InChI Key | WXKUAYVKUKAIQR-UHFFFAOYSA-N |
| MDL Number | MFCD27967123 |
| Molecular Formula | C18H14N4O3 |
| Molecular Weight | 334.3288 |
| SMILES | O=C(OC(C3=NN(C)C4=C3C=CC=C4)=O)C1=NN(C)C2=C1C=CC=C2 |
| Synonyms | 1363173-34-5,
1-Methyl-1H-indazole-3-carboxylic Anhydride,
Granisetron Impurity 1,
1-Methyl-1H-indazole-3-carboxylic Acid Anhydride,
(1-methylindazole-3-carbonyl) 1-methylindazole-3-carboxylate,
|
| Complexity | 496 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.335g/mol |
| Monoisotopic Mass | 334.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number