| CAS Number | 81995-31-5 |
| Catalog Number | AG019T2L |
| Chemical Name | 5-chloro-2-[(oxolan-2-yl)methoxy]benzaldehyde |
| IUPAC Name | 5-chloro-2-(oxolan-2-ylmethoxy)benzaldehyde |
| InChI | InChI=1S/C12H13ClO3/c13-10-3-4-12(9(6-10)7-14)16-8-11-2-1-5-15-11/h3-4,6-7,11H,1-2,5,8H2 |
| InChI Key | ZHVPKUKAGOCESM-UHFFFAOYSA-N |
| MDL Number | MFCD11177934 |
| Molecular Formula | C12H13ClO3 |
| Molecular Weight | 240.6828 |
| SMILES | ClC1=CC(C=O)=C(OCC2OCCC2)C=C1 |
| Synonyms | 5-chloro-2-(oxolan-2-ylmethoxy)benzaldehyde,
81995-31-5,
AKOS005291183,
NE39175,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.055322g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.68g/mol |
| Monoisotopic Mass | 240.055322g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number