| CAS Number | 682351-65-1 |
| Catalog Number | AG005LOG(AGN-PC-0LK9HB) |
| Chemical Name | 1-(4-Acetylphenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-acetylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C12H13NO2/c1-9(14)10-4-6-11(7-5-10)13-8-2-3-12(13)15/h4-7H,2-3,8H2,1H3 |
| InChI Key | PKUMIGIYINMLHJ-UHFFFAOYSA-N |
| MDL Number | MFCD07339109 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | O=C(C1=CC=C(C=C1)N2C(=O)CCC2)C |
| Synonyms | 1-(4-acetylphenyl)pyrrolidin-2-one,
682351-65-1,
2-Pyrrolidinone, 1-(4-acetylphenyl)-,
AC1NLRBJ,
AC1Q1JOX,
SCHEMBL12359037,
CTK1J2386,
DTXSID20407193,
ZINC4207443,
1-(4-Acetylphenyl)pyrrolidine-2-one,
AKOS008961363,
MCULE-7730860977,
NE13544,
EN300-14220,
SR-01000074471,
SR-01000074471-1,
Z55148966,
ZINC04207443,
CID4962902,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number