| CAS Number | 363135-56-2 |
| Catalog Number | AG003MAT(AGN-PC-07HCB5) |
| Chemical Name | 5,7-Dimethoxyquinoline-3-carbaldehyde |
| IUPAC Name | 5,7-dimethoxyquinoline-3-carbaldehyde |
| InChI | InChI=1S/C12H11NO3/c1-15-9-4-11-10(12(5-9)16-2)3-8(7-14)6-13-11/h3-7H,1-2H3 |
| InChI Key | REMMPEQBRHIIEE-UHFFFAOYSA-N |
| MDL Number | MFCD10696341 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | COC1=C2C=C(C=NC2=CC(=C1)OC)C=O |
| Synonyms | 5,7-dimethoxyquinoline-3-carbaldehyde,
363135-56-2,
AC1Q4EQG,
CTK6J9141,
MFCD10696341,
ZINC38342028,
5,7-Dimethoxy-3-quinolinecarbaldehyde,
AKOS022689865,
AB57094,
MCULE-1343013034,
NE58545,
EN300-51278,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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