| CAS Number | 199743-06-1 |
| Catalog Number | AG01DNJX(AGN-PC-08XZBJ) |
| Chemical Name | 4-Isopropoxy-3-methylbenzaldehyde |
| IUPAC Name | 3-methyl-4-propan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11-5-4-10(7-12)6-9(11)3/h4-8H,1-3H3 |
| InChI Key | KZJHTRBYWPKCCX-UHFFFAOYSA-N |
| MDL Number | MFCD12547898 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | c1(c(ccc(c1)C=O)OC(C)C)C |
| Synonyms | 4-Isopropoxy-3-methylbenzaldehyde,
199743-06-1,
SCHEMBL12476044,
KZJHTRBYWPKCCX-UHFFFAOYSA-N,
MFCD12547898,
ZINC40571726,
AKOS005291199,
(4-isopropoxy-3-methylphenyl)methanone,
(4-isopropoxy-3-methyl-phenyl)methanone,
Benzaldehyde, 3-methyl-4-(1-methylethoxy)-,
Z0336,
Q-7258,
C11H14O2,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number