3-Isopropyl-4-methoxybenzaldehyde - CAS 31825-29-3
Catalog: |
BB021070 |
Product Name: |
3-Isopropyl-4-methoxybenzaldehyde |
CAS: |
31825-29-3 |
Synonyms: |
4-methoxy-3-propan-2-ylbenzaldehyde; 4-methoxy-3-propan-2-ylbenzaldehyde |
IUPAC Name: | 4-methoxy-3-propan-2-ylbenzaldehyde |
Description: | 3-Isopropyl-4-methoxybenzaldehyde (CAS# 31825-29-3) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC(C)C1=C(C=CC(=C1)C=O)OC |
InChI: | InChI=1S/C11H14O2/c1-8(2)10-6-9(7-12)4-5-11(10)13-3/h4-8H,1-3H3 |
InChI Key: | FLUXMXNLUOSZPT-UHFFFAOYSA-N |
Boiling Point: | 284.736 °C at 760 mmHg |
Density: | 1.017 g/cm3 |
MDL: | MFCD06247877 |
LogP: | 2.63110 |
Publication Number | Title | Priority Date |
WO-2020052774-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
WO-2020053249-A1 | Flavone compounds for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
CN-112601743-A | Flavone compounds for treating and preventing hepatitis B virus diseases | 20180914 |
EP-3849966-A1 | Flavone compounds for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
US-2012283263-A1 | Triazine-aryl-bis-indoles and process for preparation thereof | 20100129 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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