| CAS Number | 897565-71-8 |
| Catalog Number | AG01A17N |
| Chemical Name | 2-Cyclopropyl-6-methoxyquinoline-4-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-6-methoxyquinoline-4-carboxylic acid |
| InChI | InChI=1S/C14H13NO3/c1-18-9-4-5-12-10(6-9)11(14(16)17)7-13(15-12)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17) |
| InChI Key | NMVCLMGYUWYUDB-UHFFFAOYSA-N |
| MDL Number | MFCD05176306 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | COC1=CC2=C(N=C(C3CC3)C=C2C(O)=O)C=C1 |
| Synonyms | 2-cyclopropyl-6-methoxyquinoline-4-carboxylic acid,
897565-71-8,
AC1MMJGL,
SCHEMBL16832588,
ZINC3757687,
AKOS010208238,
MCULE-1264741190,
NE37751,
Z667969798,
CID3286942,
2-cyclopropyl-6-methoxy-quinoline-4-carboxylic Acid,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number