| CAS Number | 2102410-26-2 |
| Catalog Number | AG01DKEW |
| Chemical Name | 3-methyl-8-oxa-3,13-diazatricyclo[7.4.0.0²,⁶]trideca-1(13),2(6),4,9,11-pentaene-4-carboxylic acid |
| IUPAC Name | 3-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxylic acid |
| InChI | InChI=1S/C12H10N2O3/c1-14-8(12(15)16)5-7-6-17-9-3-2-4-13-10(9)11(7)14/h2-5H,6H2,1H3,(H,15,16) |
| InChI Key | MOHYKNWBGGWWJX-UHFFFAOYSA-N |
| MDL Number | MFCD31555290 |
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.2194 |
| SMILES | Cn1c(cc2COc3cccnc3-c12)C(O)=O |
| Synonyms | 1-methyl-1,4-dihydropyrrolo[2',3':4,5]pyrano[3,2-b]pyridine-2-carboxylic acid,
2102410-26-2,
ZINC642881965,
1-methyl-1,4-dihydropyrrolo[2',3',4,5]pyrano[3,2-b]pyridine-2-carboxylic acid,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.223g/mol |
| Monoisotopic Mass | 230.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number