| CAS Number | 2570-97-0 |
| Catalog Number | AG01A39I(AGN-PC-00BDZ1) |
| Chemical Name | 3-ethylheptanal |
| IUPAC Name | 3-ethylheptanal |
| InChI | InChI=1S/C9H18O/c1-3-5-6-9(4-2)7-8-10/h8-9H,3-7H2,1-2H3 |
| InChI Key | GDVBVQRZGJITDD-UHFFFAOYSA-N |
| MDL Number | MFCD11553592 |
| Molecular Formula | C9H18O |
| Molecular Weight | 142.2386 |
| SMILES | CCCCC(CC=O)CC |
| Synonyms | 3-ethylheptanal,
2570-97-0,
SCHEMBL78112,
AKOS013286408,
NE50195,
Heptanal, 3-ethyl-,
CID11550030,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.242g/mol |
| Monoisotopic Mass | 142.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number