| CAS Number | 1796574-10-1 |
| Catalog Number | AG00IP2Q(AGN-PC-0WAPSG) |
| Chemical Name | 3-Ethyl-4-(prop-2-yn-1-yloxy)benzaldehyde |
| IUPAC Name | 3-ethyl-4-prop-2-ynoxybenzaldehyde |
| InChI | InChI=1S/C12H12O2/c1-3-7-14-12-6-5-10(9-13)8-11(12)4-2/h1,5-6,8-9H,4,7H2,2H3 |
| InChI Key | DTBZPMVWLDDXIO-UHFFFAOYSA-N |
| MDL Number | MFCD28962685 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.2225 |
| SMILES | O=CC1(=CC(=C(OCC#C)C=C1)CC) |
| Synonyms | 3-ethyl-4-(prop-2-yn-1-yloxy)benzaldehyde,
1796574-10-1,
SCHEMBL20455963,
KS-00001R8P,
AKOS025286094,
ZINC221509528,
OR311214,
10R-0810,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.226g/mol |
| Monoisotopic Mass | 188.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number