| CAS Number | 1397002-01-5 |
| Catalog Number | AG019VKI(AGN-PC-0WO6EA) |
| Chemical Name | 2-(Furan-3-ylformamido)propanoic acid |
| IUPAC Name | 2-(furan-3-carbonylamino)propanoic acid |
| InChI | InChI=1S/C8H9NO4/c1-5(8(11)12)9-7(10)6-2-3-13-4-6/h2-5H,1H3,(H,9,10)(H,11,12) |
| InChI Key | XXRQBMOHAAJSMT-UHFFFAOYSA-N |
| MDL Number | MFCD09044635 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | CC(C(O)=O)NC(C1=COC=C1)=O |
| Synonyms | 2-(furan-3-ylformamido)propanoic acid,
1397002-01-5,
AB01006924-01,
Z594413664,
AC1Q2BHX,
CTK7I4959,
AKOS000128563,
AKOS022477798,
MCULE-8926259697,
NE27222,
2-[(furan-3-yl)formamido]propanoic acid,
EN300-45509,
|
| Complexity | 216 |
| 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 | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number