| CAS Number | 91088-39-0 |
| Catalog Number | AG00GVJZ(AGN-PC-0KMEJI) |
| Chemical Name | N-(2-methoxy-4-nitrophenyl)-3-oxobutanamide |
| IUPAC Name | N-(2-methoxy-4-nitrophenyl)-3-oxobutanamide |
| InChI | InChI=1S/C11H12N2O5/c1-7(14)5-11(15)12-9-4-3-8(13(16)17)6-10(9)18-2/h3-4,6H,5H2,1-2H3,(H,12,15) |
| InChI Key | AWRWFTFHIONLAG-UHFFFAOYSA-N |
| MDL Number | MFCD01610158 |
| Molecular Formula | C11H12N2O5 |
| Molecular Weight | 252.2234 |
| SMILES | [N+](=O)([O-])C1C=CC(=C(OC)C=1)NC(=O)CC(C)=O |
| Synonyms | N-(2-methoxy-4-nitrophenyl)-3-oxobutanamide,
91088-39-0,
AC1MEWWU,
CBMicro_045207,
CTK5G8922,
DTXSID40387281,
ZINC5092771,
ZX-CM016487,
MFCD01610158,
AKOS000164670,
SEL10031351,
AJ-53094,
BIM-0045137.P001,
N-(2-Methoxy-4-nitrophenyl)acetoacetamide,
W-8460,
SR-01000227317,
SR-01000227317-1,
ZINC05092771,
CID2885518,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.226g/mol |
| Monoisotopic Mass | 252.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number