| CAS Number | 1020675-51-7 |
| Catalog Number | AG0091P4(AGN-PC-0WR3CC) |
| Chemical Name | 3-methylidenecyclobutane-1-carbaldehyde |
| IUPAC Name | 3-methylidenecyclobutane-1-carbaldehyde |
| InChI | InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h4,6H,1-3H2 |
| InChI Key | BKBDNJRJULIRDE-UHFFFAOYSA-N |
| MDL Number | MFCD22208481 |
| Molecular Formula | C6H8O |
| Molecular Weight | 96.1271 |
| SMILES | C=C1CC(C=O)C1 |
| Synonyms | 3-methylenecyclobutanecarbaldehyde,
1020675-51-7,
3-methyleneCyclobutanecarboxaldehyde,
BKBDNJRJULIRDE-UHFFFAOYSA-N,
3-methylenecyclobutane-1-carbaldehyde,
ZINC90395230,
AM84292,
FT-0708707,
|
| Complexity | 96.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 96.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 96.129g/mol |
| Monoisotopic Mass | 96.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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