| CAS Number | 250674-49-8 |
| Catalog Number | AG002QCU(AGN-PC-03OPI3) |
| Chemical Name | 1,7-Naphthyridine-3-carboxylic acid |
| IUPAC Name | 1,7-naphthyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H6N2O2/c12-9(13)7-3-6-1-2-10-5-8(6)11-4-7/h1-5H,(H,12,13) |
| InChI Key | HJYYQFVLSQWEDJ-UHFFFAOYSA-N |
| MDL Number | MFCD11044184 |
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.1561 |
| SMILES | O=C(C1=CC2=CC=NC=C2N=C1)O |
| Synonyms | 1,7-NAPHTHYRIDINE-3-CARBOXYLIC ACID,
250674-49-8,
1,7-Napthyridine-3-carboxylic acid,
SCHEMBL3788261,
CTK4F4907,
DTXSID90625448,
CS-B1830,
9649AH,
ZINC78676338,
[1,7]naphthyridine-3-carboxylic acid,
AKOS006309955,
CS-15347,
SC-49856,
AJ-122758,
C9H6N2O2,
1,7-NAPHTHYRIDINE-3-CARBOXYLICACID,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.159g/mol |
| Monoisotopic Mass | 174.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number