| CAS Number | 1260664-03-6 |
| Catalog Number | AG00HITN(AGN-PC-0WC8TT) |
| Chemical Name | 3,4-Dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C9H9NO3/c11-9(12)7-4-6-2-1-3-13-8(6)10-5-7/h4-5H,1-3H2,(H,11,12) |
| InChI Key | AECRHVMMLYHHTH-UHFFFAOYSA-N |
| MDL Number | MFCD18250787 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | OC(C1=CC2=C(OCCC2)N=C1)=O |
| Synonyms | 3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-6-CARBOXYLIC ACID,
1260664-03-6,
3,4-Dihydro-2H-pyrano[2,3-b]-pyridine-6-carboxylic acid,
SCHEMBL17371695,
KM5320,
MFCD18250787,
ZINC66054424,
AB73657,
FT-0743011,
2H,3H,4H-pyrano[2,3-b]pyridine-6-carboxylic acid,
3,4-Dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid, AldrichCPR,
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| 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 |
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Certificate of Analysis
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