| CAS Number | 90281-70-2 |
| Catalog Number | AG019MCV(AGN-PC-0VQBRS) |
| Chemical Name | 3-[3-(Furan-2-yl)prop-2-enamido]propanoic acid |
| IUPAC Name | 3-[3-(furan-2-yl)prop-2-enoylamino]propanoic acid |
| InChI | InChI=1S/C10H11NO4/c12-9(11-6-5-10(13)14)4-3-8-2-1-7-15-8/h1-4,7H,5-6H2,(H,11,12)(H,13,14) |
| InChI Key | KAIDPALCXIWYGN-UHFFFAOYSA-N |
| MDL Number | MFCD09935693 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | OC(CCNC(C=CC1OC=CC=1)=O)=O |
| Synonyms | 3-[3-(furan-2-yl)prop-2-enamido]propanoic acid,
90281-70-2,
CTK7J4263,
AKOS034636580,
MCULE-9578470193,
Z85914357,
3-{[(2E)-3-(2-furyl)prop-2-enoyl]amino}propanoic acid,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number