| CAS Number | 527681-62-5 |
| Catalog Number | AG00DJCX(AGN-PC-03NU4Q) |
| Chemical Name | 2H,3H,4H-pyrano[2,3-c]pyridine-6-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C9H9NO3/c11-9(12)7-4-6-2-1-3-13-8(6)5-10-7/h4-5H,1-3H2,(H,11,12) |
| InChI Key | AEBMIGWPSNFWOA-UHFFFAOYSA-N |
| MDL Number | MFCD20658718 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | OC(C1=NC=C2C(CCCO2)=C1)=O |
| Synonyms | 527681-62-5,
2H,3H,4H-pyrano[2,3-c]pyridine-6-carboxylic acid,
3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylic acid,
SCHEMBL5917837,
ZINC95348034,
AKOS024058788,
NE18357,
SB12826,
2H,3H,4H-pyrano[2,3-c]pyridine-6-carboxylicacid,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number