| CAS Number | 69060-18-0 |
| Catalog Number | AG005YJN(AGN-PC-0NCNO2) |
| Chemical Name | 3,3-Dimethyl-2-methylenebutanal |
| IUPAC Name | 3,3-dimethyl-2-methylidenebutanal |
| InChI | InChI=1S/C7H12O/c1-6(5-8)7(2,3)4/h5H,1H2,2-4H3 |
| InChI Key | DHGPQZABCDXAEA-UHFFFAOYSA-N |
| MDL Number | MFCD01926994 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CC(C(C=O)=C)(C)C |
| Synonyms | 3,3-DIMETHYL-2-METHYLENE-BUTYRALDEHYDE,
69060-18-0,
3,3-DIMETHYL-2-METHYLIDENEBUTANAL,
2-tert-Butylpropenal,
SCHEMBL3362204,
CTK5C8961,
DTXSID10447927,
DHGPQZABCDXAEA-UHFFFAOYSA-N,
3,3-dimethyl-2-methylene-butanal,
ZINC21998732,
Butanal, 3,3-dimethyl-2-methylene-,
AKOS006229519,
3,3-dimethyl-2-methylidene-butanal,
CID10909525,
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| Complexity | 106 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number