| CAS Number | 5618-02-0 |
| Catalog Number | AG00DK9F(AGN-PC-00N3V1) |
| Chemical Name | 3-Cyclopropylpropanal |
| IUPAC Name | 3-cyclopropylpropanal |
| InChI | InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2 |
| InChI Key | ZPVHPQORXWAGSU-UHFFFAOYSA-N |
| MDL Number | MFCD20336846 |
| Molecular Formula | C6H10O |
| Molecular Weight | 98.1430 |
| SMILES | O=CCCC1CC1 |
| Synonyms | 3-Cyclopropylpropanal,
5618-02-0,
3-(cyclopropyl)propionaldehyde,
Cyclopropanepropanal,
CTK8B7734,
DTXSID20544032,
8213AB,
ANW-58308,
ZINC34091280,
AKOS013847446,
AJ-86918,
TC-147053,
FT-0753771,
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 | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H225-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P261-P305+P351+P338
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number