| CAS Number | 1312457-13-8 |
| Catalog Number | AG00HSEG(AGN-PC-0WNQOM) |
| Chemical Name | 6,6-Dimethylmorpholin-3-one |
| IUPAC Name | 6,6-dimethylmorpholin-3-one |
| InChI | InChI=1S/C6H11NO2/c1-6(2)4-7-5(8)3-9-6/h3-4H2,1-2H3,(H,7,8) |
| InChI Key | KPXBHBMOLSFNMG-UHFFFAOYSA-N |
| MDL Number | MFCD24567211 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | CC1(C)CNC(=O)CO1 |
| Synonyms | 6,6-dimethylmorpholin-3-one,
1312457-13-8,
3-Morpholinone,6,6-dimethyl-,
6,6-dimethyl-morpholin-3-one,
SCHEMBL2521424,
KPXBHBMOLSFNMG-UHFFFAOYSA-N,
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| Complexity | 131 |
| 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 | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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