| CAS Number | 65152-37-6 |
| Catalog Number | AG01BE6U |
| Chemical Name | 4-(3-Methoxyphenyl)-2-oxobut-3-enoic acid |
| IUPAC Name | 4-(3-methoxyphenyl)-2-oxobut-3-enoic acid |
| InChI | InChI=1S/C11H10O4/c1-15-9-4-2-3-8(7-9)5-6-10(12)11(13)14/h2-7H,1H3,(H,13,14) |
| InChI Key | TZBQCGQSQBDNCY-UHFFFAOYSA-N |
| MDL Number | MFCD00029981 |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.1947 |
| SMILES | COC1=CC(C=CC(C(O)=O)=O)=CC=C1 |
| Synonyms | 4-(3-methoxyphenyl)-2-oxobut-3-enoic acid,
65152-37-6,
AC1NEVXX,
MCULE-2225961984,
(3-METHOXYSTYRYL)GLYOXYLIC ACID,
CID4598879,
4-(3-methoxyphenyl)-2-oxo-but-3-enoic Acid,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.197g/mol |
| Monoisotopic Mass | 206.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number