| CAS Number | 52980-52-6 |
| Catalog Number | AG00DIFZ(AGN-PC-0KBTDW) |
| Chemical Name | 2-(5-Nitrofuran-2-carboxamido)acetic acid |
| IUPAC Name | 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C7H6N2O6/c10-6(11)3-8-7(12)4-1-2-5(15-4)9(13)14/h1-2H,3H2,(H,8,12)(H,10,11) |
| InChI Key | UOFUMXXXRWUIMT-UHFFFAOYSA-N |
| MDL Number | MFCD06341997 |
| Molecular Formula | C7H6N2O6 |
| Molecular Weight | 214.1323 |
| SMILES | OC(CNC(C1OC([N+]([O-])=O)=CC=1)=O)=O |
| Synonyms | [(5-nitro-2-furoyl)amino]acetic acid,
52980-52-6,
2-[(5-nitrofuran-2-yl)formamido]acetic acid,
N-(5-nitro-furan-2-carbonyl)-glycine,
2-(5-Nitrofuran-2-carboxamido)acetic acid,
AC1M0MB0,
AC1Q75YO,
2-[(5-nitrofuran-2-carbonyl)amino]acetic Acid,
CTK8F2273,
DTXSID60366472,
ZINC2617559,
AKOS000117446,
MCULE-2561417986,
NE54858,
(5-NITRO-2-FUROYL)AMINO]ACETIC ACID,
EN300-09876,
CID2079408,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.133g/mol |
| Monoisotopic Mass | 214.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number