| CAS Number | 1780698-50-1 |
| Catalog Number | AG01BEIQ(AGN-PC-0WOSCD) |
| Chemical Name | Spiro[2.3]hexane-5-carbaldehyde |
| IUPAC Name | spiro[2.3]hexane-5-carbaldehyde |
| InChI | InChI=1S/C7H10O/c8-5-6-3-7(4-6)1-2-7/h5-6H,1-4H2 |
| InChI Key | QVRHIHYYNIOOAJ-UHFFFAOYSA-N |
| MDL Number | MFCD24687780 |
| Molecular Formula | C7H10O |
| Molecular Weight | 110.1537 |
| SMILES | O=CC1CC2(CC2)C1 |
| Synonyms | spiro[2.3]hexane-5-carbaldehyde,
1780698-50-1,
SCHEMBL17048944,
MFCD24687780,
ZINC98095700,
AKOS026742364,
NE59140,
AS-43718,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 110.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 110.156g/mol |
| Monoisotopic Mass | 110.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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