| CAS Number | 20845-30-1 |
| Catalog Number | AG00BJO5 |
| Chemical Name | 6-(HYDROXYMETHYL)-1-METHYL-2-PIPERIDINONE |
| IUPAC Name | 6-(hydroxymethyl)-1-methylpiperidin-2-one |
| InChI | InChI=1S/C7H13NO2/c1-8-6(5-9)3-2-4-7(8)10/h6,9H,2-5H2,1H3 |
| InChI Key | HZFMUHWDTCSCFI-UHFFFAOYSA-N |
| MDL Number | MFCD22395746 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | CN1C(=O)CCCC1CO |
| Synonyms | 20845-30-1,
6-(hydroxymethyl)-1-methylpiperidin-2-one,
6-(HYDROXYMETHYL)-1-METHYL-2-PIPERIDINONE,
SCHEMBL5991525,
HZFMUHWDTCSCFI-UHFFFAOYSA-N,
AKOS027252593,
6-hydroxymethyl-1-methyl-piperidin-2-one,
2-Piperidinone, 6-(hydroxymethyl)-1-methyl-,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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