| CAS Number | 820236-96-2 |
| Catalog Number | AG008KD0(AGN-PC-03BJOR) |
| Chemical Name | 3-Methyl-4-propoxybenzaldehyde
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| IUPAC Name | 3-methyl-4-propoxybenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-3-6-13-11-5-4-10(8-12)7-9(11)2/h4-5,7-8H,3,6H2,1-2H3 |
| InChI Key | HTNVOKBPQBSBAK-UHFFFAOYSA-N |
| MDL Number | MFCD06248397 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CCCOC1=C(C)C=C(C=O)C=C1 |
| Synonyms | 3-METHYL-4-PROPOXYBENZALDEHYDE,
820236-96-2,
Benzaldehyde, 3-methyl-4-propoxy-,
3-Methyl-4-n-propoxybenzaldehyde,
SCHEMBL5447154,
CTK3E2989,
DTXSID20613833,
0141AF,
ZINC42784108,
AKOS005291337,
AJ-107936,
TR-070284,
BB 0259457,
C11H14O2,
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| Complexity | 156 |
| 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 | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number