2,6-Dimethoxybenzaldehyde - CAS 3392-97-0
Catalog: |
BB021898 |
Product Name: |
2,6-Dimethoxybenzaldehyde |
CAS: |
3392-97-0 |
Synonyms: |
2,6-dimethoxybenzaldehyde |
IUPAC Name: | 2,6-dimethoxybenzaldehyde |
Description: | 2,6-Dimethoxybenzaldehyde (CAS# 3392-97-0) is a widely used reactant that has been used in the synthesis of thiazolidin-4-one derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC1=C(C(=CC=C1)OC)C=O |
InChI: | InChI=1S/C9H10O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-6H,1-2H3 |
InChI Key: | WXSGQHKHUYTJNB-UHFFFAOYSA-N |
Boiling Point: | 285 °C |
Melting Point: | 95-98 °C |
Purity: | 98 % |
Density: | 1.114 g/cm3 |
Appearance: | Yellow to beige crystalline powder |
MDL: | MFCD00010862 |
LogP: | 1.51630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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