| CAS Number | 27337-63-9 |
| Catalog Number | AG00IMPP(AGN-PC-0O8HWV) |
| Chemical Name | 1,10-Phenanthroline-4,7-diol, 2,9-dimethyl- |
| IUPAC Name | 2,9-dimethyl-1,10-dihydro-1,10-phenanthroline-4,7-dione |
| InChI | InChI=1S/C14H12N2O2/c1-7-5-11(17)9-3-4-10-12(18)6-8(2)16-14(10)13(9)15-7/h3-6H,1-2H3,(H,15,17)(H,16,18) |
| InChI Key | IPOUIVFZUKIUAL-UHFFFAOYSA-N |
| MDL Number | MFCD32206262 |
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.2573 |
| SMILES | OC1=C2C=CC3=C(O)C=C(C)N=C3C2=NC(C)=C1 |
| Synonyms | SCHEMBL3799140,
1,10-Phenanthroline-4,7-diol, 2,9-dimethyl-,
27337-63-9,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.262g/mol |
| Monoisotopic Mass | 240.09g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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