| CAS Number | 85944-02-1 |
| Catalog Number | AG004QLO(AGN-PC-0N3S08) |
| Chemical Name | 5-Ethyl-2-methoxybenzaldehyde |
| IUPAC Name | 5-ethyl-2-methoxybenzaldehyde |
| InChI | InChI=1S/C10H12O2/c1-3-8-4-5-10(12-2)9(6-8)7-11/h4-7H,3H2,1-2H3 |
| InChI Key | FPVAAACXONVFMQ-UHFFFAOYSA-N |
| MDL Number | MFCD06247461 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | CCC1=CC(C=O)=C(OC)C=C1 |
| Synonyms | 5-ETHYL-2-METHOXYBENZALDEHYDE,
85944-02-1,
Benzaldehyde, 5-ethyl-2-methoxy-,
2-Methoxy-5-ethylbenzaldehyde,
SCHEMBL9681414,
CTK3C7961,
DTXSID20439176,
ZINC38760074,
AKOS005291264,
AJ-96848,
DA-02551,
TR-070322,
BB 0259421,
FT-0759620,
Z-1533,
5-ethyl-2-methoxy-benzaldehyde,
CID10397129,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number