| CAS Number | 1383823-47-9 |
| Catalog Number | AG01B7C2 |
| Chemical Name | bicyclo[4.1.0]heptane-3-carbaldehyde |
| IUPAC Name | bicyclo[4.1.0]heptane-3-carbaldehyde |
| InChI | InChI=1S/C8H12O/c9-5-6-1-2-7-4-8(7)3-6/h5-8H,1-4H2 |
| InChI Key | POCVPBVIDMXXGU-UHFFFAOYSA-N |
| MDL Number | MFCD24687781 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | O=CC1CC2C(C2)CC1 |
| Synonyms | bicyclo[4.1.0]heptane-3-carbaldehyde,
1383823-47-9,
SCHEMBL9957398,
POCVPBVIDMXXGU-UHFFFAOYSA-N,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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