| CAS Number | 926213-24-3 |
| Catalog Number | AG019MUS(AGN-PC-0WO5WS) |
| Chemical Name | 3-[(furan-3-yl)formamido]propanoic acid |
| IUPAC Name | 3-(furan-3-carbonylamino)propanoic acid |
| InChI | InChI=1S/C8H9NO4/c10-7(11)1-3-9-8(12)6-2-4-13-5-6/h2,4-5H,1,3H2,(H,9,12)(H,10,11) |
| InChI Key | TXWJPFJEAUWQDV-UHFFFAOYSA-N |
| MDL Number | MFCD09042660 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | OC(CCNC(C1=COC=C1)=O)=O |
| Synonyms | 3-(furan-3-ylformamido)propanoic acid,
3-(3-furoylamino)propanoic acid,
926213-24-3,
AC1Q75N4,
CTK7J4330,
ZINC21953558,
AKOS000126719,
MCULE-5788305558,
3-[(furan-3-yl)formamido]propanoic acid,
EN300-37358,
Z381785712,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number