| CAS Number | 89531-41-9 |
| Catalog Number | AG003ADX(AGN-PC-0WAAUR) |
| Chemical Name | 5-(Hydroxymethyl)-1-methyl-2-pyrrolidinone |
| IUPAC Name | 5-(hydroxymethyl)-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C6H11NO2/c1-7-5(4-8)2-3-6(7)9/h5,8H,2-4H2,1H3 |
| InChI Key | OHTBSHGXEXCIOI-UHFFFAOYSA-N |
| MDL Number | MFCD17010015 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | OCC1CCC(N1C)=O |
| Synonyms | 5-(hydroxymethyl)-1-methylpyrrolidin-2-one,
89531-41-9,
5-(Hydroxymethyl)-1-methyl-2-pyrrolidinone,
Pyrrolin-2-one-5-methanol, N-methyl-,
AC1LBYNJ,
(S)-5-(Hydroxymethyl)-1-methylpyrrolidin-2-one,
SCHEMBL1712730,
CTK6I1613,
OHTBSHGXEXCIOI-UHFFFAOYSA-N,
MFCD17010015,
AKOS025311391,
CS-W001672,
MB69102,
5-(Hydroxymethyl)-1-methyl-2-pyrrolidinone #,
CID566563,
(R)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one,
122663-22-3,
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| Complexity | 124 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^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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