| CAS Number | 1216078-86-2 |
| Catalog Number | AG01A9M7(AGN-PC-0WO3BZ) |
| Chemical Name | 5-(Acetamidomethyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(acetamidomethyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO4/c1-5(10)9-4-6-2-3-7(13-6)8(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12) |
| InChI Key | OECRLHRWMUECDA-UHFFFAOYSA-N |
| MDL Number | MFCD13187985 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | CC(NCC1OC(C(O)=O)=CC=1)=O |
| Synonyms | 5-(acetamidomethyl)furan-2-carboxylic acid,
1216078-86-2,
AC1Q1L5K,
ZINC40542981,
AKOS023555721,
MCULE-4024393852,
NE52901,
EN300-65507,
5-(acetamidomethyl)furan-2-carboxylic acid, AldrichCPR,
Z1171979267,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number