| CAS Number | 1207172-73-3 |
| Catalog Number | AG01BVG0 |
| Chemical Name | (2E)-3-{[(4-methoxyphenyl)methyl]carbamoyl}prop-2-enoic acid |
| IUPAC Name | 4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid |
| InChI | InChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)8-13-11(14)6-7-12(15)16/h2-7H,8H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | WPUCZNLYVFBPAH-UHFFFAOYSA-N |
| MDL Number | MFCD00113841 |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.2359 |
| SMILES | COC1=CC=C(CNC(/C=C/C(O)=O)=O)C=C1 |
| Synonyms | (Z)-4-((4-Methoxybenzyl)amino)-4-oxobut-2-enoic acid,
146407-18-3,
Maybridge3_005800,
4-[(4-methoxybenzyl)amino]-4-oxo-2-butenoic acid,
AC1MC7X1,
CTK7A3920,
MCULE-4801456198,
4-[(4-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid,
(2E)-3-{[(4-METHOXYPHENYL)METHYL]CARBAMOYL}PROP-2-ENOIC ACID,
1207172-73-3,
CID2737836,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.239g/mol |
| Monoisotopic Mass | 235.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number