| CAS Number | 1881331-46-9 |
| Catalog Number | AG00I2NF(AGN-PC-0WQZWG) |
| Chemical Name | [1-(Hydroxymethyl)cyclobutyl]methyl acetate |
| IUPAC Name | [1-(hydroxymethyl)cyclobutyl]methyl acetate |
| InChI | InChI=1S/C8H14O3/c1-7(10)11-6-8(5-9)3-2-4-8/h9H,2-6H2,1H3 |
| InChI Key | BTNVLCWJQHRVIM-UHFFFAOYSA-N |
| MDL Number | MFCD29043338 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | CC(=O)OCC1(CO)CCC1 |
| Synonyms | [1-(HYDROXYMETHYL)CYCLOBUTYL]METHYL ACETATE,
1881331-46-9,
ZINC261493466,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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