| CAS Number | 89364-27-2 |
| Catalog Number | AG01B63P(AGN-PC-02WBTC) |
| Chemical Name | 4-Methyloxolan-3-one |
| IUPAC Name | 4-methyloxolan-3-one |
| InChI | InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4H,2-3H2,1H3 |
| InChI Key | GGMAHWLGPQOVSJ-UHFFFAOYSA-N |
| MDL Number | MFCD24693872 |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.1158 |
| SMILES | CC1C(=O)COC1 |
| Synonyms | 4-methyloxolan-3-one,
89364-27-2,
4-Methyltetrahydrofuran-3-one,
4-methyl-dihydro-furan-3-one,
tetrahydro-4-methyl-3-furanone,
SCHEMBL10150394,
GGMAHWLGPQOVSJ-UHFFFAOYSA-N,
4-Methyl-4,5-dihydrofuran-3(2H)-one,
4-methyldihydrofuran-3(2H)-one,
|
| Complexity | 88.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.117g/mol |
| Monoisotopic Mass | 100.052g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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