| CAS Number | 81124-52-9 |
| Catalog Number | AG01AJCL |
| Chemical Name | (E)-3-(quinolin-4-yl)acrylic acid |
| IUPAC Name | 3-quinolin-4-ylprop-2-enoic acid |
| InChI | InChI=1S/C12H9NO2/c14-12(15)6-5-9-7-8-13-11-4-2-1-3-10(9)11/h1-8H,(H,14,15) |
| InChI Key | GDCNAOKZXWMIJA-UHFFFAOYSA-N |
| MDL Number | MFCD00137153 |
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.2054 |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)/C=C/C(=O)O |
| Synonyms | 3-(quinolin-4-yl)prop-2-enoic acid,
(2E)-3-(Quinolin-4-yl)prop-2-enoic acid, E,
3-(4-quinolinyl)acrylic acid,
13026-20-5,
81124-52-9,
AC1L6CGF,
CTK7I5648,
3-quinolin-4-ylprop-2-enoic acid,
AKOS017391994,
MCULE-3640092561,
Z1259341089,
4-Quinolineacrylic acid,
CID264735,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.209g/mol |
| Monoisotopic Mass | 199.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number