| CAS Number | 344241-31-2 |
| Catalog Number | AG01BIEC |
| Chemical Name | 1,2,2-trimethylcyclopropane-1-carbaldehyde |
| IUPAC Name | 1,2,2-trimethylcyclopropane-1-carbaldehyde |
| InChI | InChI=1S/C7H12O/c1-6(2)4-7(6,3)5-8/h5H,4H2,1-3H3 |
| InChI Key | OSHUPHCLTIQGFJ-UHFFFAOYSA-N |
| MDL Number | MFCD24681554 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CC1(C(C=O)(C)C1)C |
| Synonyms | 1,2,2-Trimethylcyclopropanecarbaldehyde,
344241-31-2,
SCHEMBL1425876,
1,2,2-trimethylcyclopropane-1-carbaldehyde,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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