3-Hydroxy-2-iodo-4-methoxybenzaldehyde - CAS 138490-94-5
Catalog: |
BB008767 |
Product Name: |
3-Hydroxy-2-iodo-4-methoxybenzaldehyde |
CAS: |
138490-94-5 |
Synonyms: |
3-hydroxy-2-iodo-4-methoxybenzaldehyde |
IUPAC Name: | 3-hydroxy-2-iodo-4-methoxybenzaldehyde |
Description: | 3-Hydroxy-2-iodo-4-methoxybenzaldehyde (CAS# 138490-94-5 ) is a useful research chemical. |
Molecular Weight: | 278.04 |
Molecular Formula: | C8H7IO3 |
Canonical SMILES: | COC1=C(C(=C(C=C1)C=O)I)O |
InChI: | InChI=1S/C8H7IO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3 |
InChI Key: | KLXKKFGRNPBWGM-UHFFFAOYSA-N |
Boiling Point: | 304.8 ℃ at 760 mmHg |
Density: | 1.909 g/cm3 |
Appearance: | White to brown powder, crystals or crystalline powder and/or chunks |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD04129042 |
LogP: | 1.81790 |
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 |
AU-2015336311-A1 | Human therapeutic agents | 20141021 |
AU-2015336311-A2 | Human therapeutic agents | 20141021 |
AU-2015336311-B2 | Human therapeutic agents | 20141021 |
CA-2955114-A1 | Compositions comprising a curcumin component, a harmine component and an isovanillin component | 20141021 |
EP-3188721-A1 | Human therapeutic agents | 20141021 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.94399 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.94399 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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