| CAS Number | 1085698-16-3 |
| Catalog Number | AG01DXAA |
| Chemical Name | 4-[(Prop-2-en-1-yl)carbamoyl]benzoic acid |
| IUPAC Name | 4-(prop-2-enylcarbamoyl)benzoic acid |
| InChI | InChI=1S/C11H11NO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h2-6H,1,7H2,(H,12,13)(H,14,15) |
| InChI Key | PTKITGCCWDTUOG-UHFFFAOYSA-N |
| MDL Number | MFCD12173470 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | OC(C1=CC=C(C(NCC=C)=O)C=C1)=O |
| Synonyms | 1085698-16-3,
4-[(prop-2-en-1-yl)carbamoyl]benzoic acid,
4-(allylcarbamoyl)benzoic acid,
ZINC35347359,
AKOS009498752,
MCULE-1804386274,
Z927706772,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number