| CAS Number | 959237-03-7 |
| Catalog Number | AG005WJ7(AGN-PC-03JI6Y) |
| Chemical Name | 3-(Hydroxymethyl)-4-isopropoxybenzaldehyde |
| IUPAC Name | 3-(hydroxymethyl)-4-propan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C11H14O3/c1-8(2)14-11-4-3-9(6-12)5-10(11)7-13/h3-6,8,13H,7H2,1-2H3 |
| InChI Key | JQXDMMRPSMKGSR-UHFFFAOYSA-N |
| MDL Number | MFCD03180282 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | C1(CO)=CC(=CC=C1OC(C)C)C=O |
| Synonyms | 3-(HYDROXYMETHYL)-4-ISOPROPOXYBENZALDEHYDE,
959237-03-7,
SCHEMBL5881984,
CTK5H8340,
DTXSID60621912,
ZX-CM002048,
5229AH,
MFCD03180282,
ZINC19087944,
AKOS006283723,
AJ-70874,
Y-0172,
3-(hydroxymethyl)-4-(propan-2-yloxy)benzaldehyde,
3-(Hydroxymethyl)-4-[(propan-2-yl)oxy]benzaldehyde,
C11H14O3,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number