| CAS Number | 654633-87-1 |
| Catalog Number | AG01A8M8 |
| Chemical Name | 4-(2-Methylphenyl)pyrrolidin-2-one |
| IUPAC Name | 4-(2-methylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO/c1-8-4-2-3-5-10(8)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13) |
| InChI Key | SULSTGCMRTVOSL-UHFFFAOYSA-N |
| MDL Number | MFCD03447336 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | CC1=C(C2CC(=O)NC2)C=CC=C1 |
| Synonyms | 4-(2-methylphenyl)pyrrolidin-2-one,
654633-87-1,
AC1Q2EQK,
AC1N8MR2,
AKOS001640349,
AKOS017459119,
MCULE-1283416711,
NE25832,
2-Pyrrolidinone, 4-(2-methylphenyl)-,
SC-48747,
EU-0010418,
2-PYRROLIDINONE, 4-(2-METHYLPHENYL),
EN300-62004,
SR-01000483350,
SR-01000483350-1,
CID4346224,
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| 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
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Certificate of Analysis
Lot Number