| CAS Number | 1159991-46-4 |
| Catalog Number | AG00HD6K(AGN-PC-0WAAUT) |
| Chemical Name | 5-(Hydroxymethyl)-5-methyl-2-pyrrolidinone |
| IUPAC Name | 5-(hydroxymethyl)-5-methylpyrrolidin-2-one |
| InChI | InChI=1S/C6H11NO2/c1-6(4-8)3-2-5(9)7-6/h8H,2-4H2,1H3,(H,7,9) |
| InChI Key | ZNAPPCVBCHWFFH-UHFFFAOYSA-N |
| MDL Number | MFCD19690638 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | CC1(NC(=O)CC1)CO |
| Synonyms | 1159991-46-4,
5-(hydroxymethyl)-5-methylpyrrolidin-2-one,
5-(HYDROXYMETHYL)-5-METHYL-2-PYRROLIDINONE,
SCHEMBL15698548,
ZNAPPCVBCHWFFH-UHFFFAOYSA-N,
AKOS023835013,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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