| CAS Number | 338751-34-1 |
| Catalog Number | AG00IQFG(AGN-PC-0WAUAC) |
| Chemical Name | 2,7-Dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid |
| IUPAC Name | 2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C15H11NO4/c1-7-3-4-12-10(5-7)13(17)11-6-9(15(18)19)8(2)16-14(11)20-12/h3-6H,1-2H3,(H,18,19) |
| InChI Key | WTHFLZWFSOXZPR-UHFFFAOYSA-N |
| MDL Number | MFCD00138949 |
| Molecular Formula | C15H11NO4 |
| Molecular Weight | 269.2521 |
| SMILES | O=C1(C3(=C(OC2(=C1C=C(C)C=C2))N=C(C)C(=C3)C(=O)O)) |
| Synonyms | 2,7-dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid,
338751-34-1,
MLS000594330,
AC1LRVUM,
Oprea1_875461,
CHEMBL1343919,
HMS2335N15,
KS-00001X9T,
ZINC1390936,
AKOS005091720,
MCULE-8689849129,
SMR000126510,
5C-114,
2,7-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid,
CID1478334,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.256g/mol |
| Monoisotopic Mass | 269.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number