| CAS Number | 1269994-47-9 |
| Catalog Number | AG01AHZN(AGN-PC-0WOSKA) |
| Chemical Name | (S)-3-Amino-3-(5-methylfuran-2-yl)propanoic acid |
| IUPAC Name | (3S)-3-amino-3-(5-methylfuran-2-yl)propanoic acid |
| InChI | InChI=1S/C8H11NO3/c1-5-2-3-7(12-5)6(9)4-8(10)11/h2-3,6H,4,9H2,1H3,(H,10,11)/t6-/m0/s1 |
| InChI Key | QOWQYAAGGVGLJV-LURJTMIESA-N |
| MDL Number | MFCD12797111 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | N[C@@H](CC(=O)O)C=1OC(=CC1)C |
| Synonyms | (3S)-3-amino-3-(5-methylfuran-2-yl)propanoic acid,
AC1LSK6G,
1269994-47-9,
ZINC5179986,
AKOS026742512,
MCULE-7039557565,
NE60578,
AJ-53508,
EN300-76269,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number