3-(4-Methoxyphenyl)propionaldehyde - CAS 20401-88-1
Catalog: |
BB015898 |
Product Name: |
3-(4-Methoxyphenyl)propionaldehyde |
CAS: |
20401-88-1 |
Synonyms: |
3-(4-methoxyphenyl)propanal |
IUPAC Name: | 3-(4-methoxyphenyl)propanal |
Description: | 3-(4-Methoxyphenyl)propionaldehyde (CAS# 20401-88-1) is a useful reactant/reagent for organic reactions and synthesis. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | COC1=CC=C(C=C1)CCC=O |
InChI: | InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3 |
InChI Key: | ZOXCMZXXNOSBHU-UHFFFAOYSA-N |
Boiling Point: | 252.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.025 g/cm3 |
MDL: | MFCD00673205 |
LogP: | 1.82670 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248418-A | 3-alkynyl-2, 4-diester-based pyrrole compound and preparation method thereof | 20210511 |
WO-2021207634-A1 | Biomarkers related to parkinson's disease and methods of using the same | 20200410 |
WO-2020251006-A1 | Method for producing dihydroisoxazole | 20190614 |
CN-111792990-A | Unsaturated ketone compound, preparation method and application thereof | 20190409 |
WO-2020118163-A1 | Decarboxylase inhibitors for treating parkinson's disease | 20181206 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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