| CAS Number | 392721-34-5 |
| Catalog Number | AG00C618(AGN-PC-0WB4G7) |
| Chemical Name | N-(2-furylmethyl)-3-oxobutanamide |
| IUPAC Name | N-(furan-2-ylmethyl)-3-oxobutanamide |
| InChI | InChI=1S/C9H11NO3/c1-7(11)5-9(12)10-6-8-3-2-4-13-8/h2-4H,5-6H2,1H3,(H,10,12) |
| InChI Key | ODBQQAWOWBZWAB-UHFFFAOYSA-N |
| MDL Number | MFCD00457343 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | C(=O)(NCC1=CC=CO1)CC(C)=O |
| Synonyms | N-(2-furylmethyl)-3-oxobutanamide,
392721-34-5,
N-(furan-2-ylmethyl)-3-oxobutanamide,
CHEMBRDG-BB 6086007,
AC1LILAI,
CTK4I1237,
DTXSID50359297,
ZINC564097,
ZX-CM016473,
MFCD00457343,
AKOS000166462,
BBV-055698,
MCULE-5607218116,
ACM392721345,
AJ-23508,
ST51005171,
W-6984,
CID957257,
N-(2-furylmethyl)-3-oxo-butanamide,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number