| CAS Number | 114561-28-3 |
| Catalog Number | AG01C6FY(AGN-PC-0LJBR9) |
| Chemical Name | 3-(Hydroxymethyl)-6-methoxy-1-methylquinolin-2(1H)-one |
| IUPAC Name | 3-(hydroxymethyl)-6-methoxy-1-methylquinolin-2-one |
| InChI | InChI=1S/C12H13NO3/c1-13-11-4-3-10(16-2)6-8(11)5-9(7-14)12(13)15/h3-6,14H,7H2,1-2H3 |
| InChI Key | WTKAOIYWXLMZGW-UHFFFAOYSA-N |
| MDL Number | MFCD06738251 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | COC1=CC2=C(N(C(C(=C2)CO)=O)C)C=C1 |
| Synonyms | 3-(hydroxymethyl)-6-methoxy-1-methylquinolin-2(1H)-one,
114561-28-3,
3-(hydroxymethyl)-6-methoxy-1-methylhydroquinolin-2-one,
AC1NKJZG,
3-(hydroxymethyl)-6-methoxy-1-methylquinolin-2-one,
CTK7A8091,
ZINC3882774,
BBL030622,
SBB014824,
STK787523,
AKOS000269753,
MCULE-2593552398,
ST098856,
3-(Hydroxymethyl)-6-methoxy-1-methyl-2(1H)-quinolinone,
F2185-0126,
3-HYDROXYMETHYL-6-METHOXY-1-METHYL-1H-QUINOLIN-2-ONE,
3-hydroxymethyl-6-methoxy-1-methyl-1H-quinolin-2-one, AldrichCPR,
ZINC03882774,
CID4914643,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number