2,5-Dimethyl-4-methoxybenzaldehyde - CAS 6745-75-1
Catalog: |
BB033282 |
Product Name: |
2,5-Dimethyl-4-methoxybenzaldehyde |
CAS: |
6745-75-1 |
Synonyms: |
4-methoxy-2,5-dimethylbenzaldehyde |
IUPAC Name: | 4-methoxy-2,5-dimethylbenzaldehyde |
Description: | 2,5-Dimethyl-4-methoxybenzaldehyde (CAS# 6745-75-1) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC(=C(C=C1C=O)C)OC |
InChI: | InChI=1S/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3 |
InChI Key: | KYHULTSMPDXSLR-UHFFFAOYSA-N |
Boiling Point: | 147-149 °C12 mmHg (lit.) |
Melting Point: | 31-35 °C (lit.) |
Purity: | 95 % |
Density: | 1.041 g/cm3 |
Appearance: | White to yellow solid or liquid |
MDL: | MFCD00003343 |
LogP: | 2.12450 |
Publication Number | Title | Priority Date |
EP-3383866-A1 | Tetrahydroisoquinoline derivatives | 20151204 |
JP-2019501143-A | Tetrahydroisoquinoline derivatives | 20151204 |
US-2018334436-A1 | Tetrahydroisoquinoline derivatives | 20151204 |
WO-2017093938-A1 | Tetrahydroisoquinoline derivatives | 20151204 |
US-10195189-B2 | 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds | 20141215 |
Complexity: | 156 |
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: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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