| CAS Number | 915921-81-2 |
| Catalog Number | AG006GKV(AGN-PC-0WB555) |
| Chemical Name | 3-(Hydroxymethyl)-4-propoxybenzaldehyde |
| IUPAC Name | 3-(hydroxymethyl)-4-propoxybenzaldehyde |
| InChI | InChI=1S/C11H14O3/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h3-4,6-7,13H,2,5,8H2,1H3 |
| InChI Key | HLQBRHXEHNHRJT-UHFFFAOYSA-N |
| MDL Number | MFCD08753026 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | C1(CO)C=C(C=CC=1OCCC)C=O |
| Synonyms | 3-(HYDROXYMETHYL)-4-PROPOXYBENZALDEHYDE,
915921-81-2,
CTK5H0002,
DTXSID80651130,
CHEMBRDG-BB 9071737,
ZX-CM018333,
5230AH,
MFCD08753026,
ZINC19094366,
AKOS006227718,
AJ-72427,
Y-4731,
C11H14O3,
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| Complexity | 170 |
| 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 | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number