| CAS Number | 6540-31-4 |
| Catalog Number | AG006ROL(AGN-PC-03OKFQ) |
| Chemical Name | 2-cyclobutylacetaldehyde |
| IUPAC Name | 2-cyclobutylacetaldehyde |
| InChI | InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h5-6H,1-4H2 |
| InChI Key | GBTLVTGTSKWGCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09038155 |
| Molecular Formula | C6H10O |
| Molecular Weight | 98.1430 |
| SMILES | O=CCC1CCC1 |
| Synonyms | 2-Cyclobutylacetaldehyde,
CYCLOBUTYLACETALDEHYDE,
6540-31-4,
Cyclobutaneacetaldehyde,
CTK2F6159,
DTXSID20625335,
GBTLVTGTSKWGCQ-UHFFFAOYSA-N,
0019AC,
MFCD09038155,
ZINC78675850,
AKOS006330961,
AB49507,
ACN-048453,
AJ-122745,
TX-017498,
BB 0261649,
I05-0591,
C6H10O,
|
| Complexity | 64.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.145g/mol |
| Monoisotopic Mass | 98.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H226-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number