| CAS Number | 1000932-52-4 |
| Catalog Number | AG019LAK |
| Chemical Name | 3-(4-[(Cyclopropylamino)carbonyl]phenyl)acrylic acid |
| IUPAC Name | 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C13H13NO3/c15-12(16)8-3-9-1-4-10(5-2-9)13(17)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,17)(H,15,16) |
| InChI Key | FFXXWFKUBVGRPU-UHFFFAOYSA-N |
| MDL Number | MFCD09863377 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | OC(/C=C/C1=CC=C(C(NC2CC2)=O)C=C1)=O |
| Synonyms | 1000932-52-4,
3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid,
CTK7I5549,
CTK8F4917,
AKOS009163350,
MCULE-3109803799,
Z317046536,
3-{4-[(cyclopropylamino)carbonyl]phenyl}acrylic acid,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number