| CAS Number | 1019650-80-6 |
| Catalog Number | AG00H9PC(AGN-PC-0WR203) |
| Chemical Name | 2-PYRROLIDINONE, 4-(3-METHYLPHENYL) |
| IUPAC Name | 4-(3-methylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO/c1-8-3-2-4-9(5-8)10-6-11(13)12-7-10/h2-5,10H,6-7H2,1H3,(H,12,13) |
| InChI Key | JDNVNVFAFWJZAZ-UHFFFAOYSA-N |
| MDL Number | MFCD19347433 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | CC1=CC(C2CC(=O)NC2)=CC=C1 |
| Synonyms | 1019650-80-6,
4-(3-methylphenyl)pyrrolidin-2-one,
2-Pyrrolidinone, 4-(3-methylphenyl),
4-(m-tolyl)Pyrrolidin-2-one,
SCHEMBL1269222,
MFCD19347433,
AKOS014313293,
NE47214,
2-Pyrrolidinone, 4-(3-methylphenyl)-,
SC-48820,
Z2327224782,
2-Pyrrolidinone,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number