| CAS Number | 1172902-78-1 |
| Catalog Number | AG000E25(AGN-PC-0WB2KD) |
| Chemical Name | 2-(1,6-Naphthyridin-2-yl)benzoic acid hydrate |
| IUPAC Name | 2-(1,6-naphthyridin-2-yl)benzoic acid;hydrate |
| InChI | InChI=1S/C15H10N2O2.H2O/c18-15(19)12-4-2-1-3-11(12)14-6-5-10-9-16-8-7-13(10)17-14;/h1-9H,(H,18,19);1H2 |
| InChI Key | WGOXGTNPJFVPMJ-UHFFFAOYSA-N |
| MDL Number | MFCD00203185 |
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.2674 |
| SMILES | O=C(O)C3(=C(C2(=NC1(=C(C=NC=C1)C=C2)))C=CC=C3).O |
| Synonyms | 2-(1,6-Naphthyridin-2-yl)benzoic acid hydrate,
1172902-78-1,
392233-76-0,
CTK7I8958,
KS-00002AQ7,
ZX-AT000400,
MFCD08445563,
OR7867,
AKOS015888802,
PS-7300,
FT-0684490,
SR-01000384848,
SR-01000384848-1,
I01-15943,
2-(1,6-naphthyridin-2-yl)benzoic acid,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.272g/mol |
| Monoisotopic Mass | 268.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number