| CAS Number | 565206-91-9 |
| Catalog Number | AG00IA36(AGN-PC-0WR4H6) |
| Chemical Name | (2E)-3-(2-Methoxyquinolin-3-yl)acrylic acid |
| IUPAC Name | (E)-3-(2-methoxyquinolin-3-yl)prop-2-enoic acid |
| InChI | InChI=1S/C13H11NO3/c1-17-13-10(6-7-12(15)16)8-9-4-2-3-5-11(9)14-13/h2-8H,1H3,(H,15,16)/b7-6+ |
| InChI Key | FYWLPUONLPZDPD-VOTSOKGWSA-N |
| MDL Number | MFCD04610243 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | COC1=C(/C=C/C(O)=O)C=C2C(C=CC=C2)=N1 |
| Synonyms | (2E)-3-(2-methoxyquinolin-3-yl)acrylic acid,
EN300-10600,
565206-91-9,
AC1M6MKA,
AC1Q4FBY,
HMS1729N05,
ZINC3335156,
MFCD04610243,
AKOS001061218,
NE23849,
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoic acid,
(2E)-3-(2-METHOXYQUINOLIN-3-YL)PROP-2-ENOIC ACID,
3-(2-methoxyquinolin-3-yl)prop-2-enoic Acid,
CID2451322,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number