3,5-Dihydroxybenzaldehyde - CAS 26153-38-8
Catalog: |
BB019152 |
Product Name: |
3,5-Dihydroxybenzaldehyde |
CAS: |
26153-38-8 |
Synonyms: |
3,5-dihydroxybenzaldehyde |
IUPAC Name: | 3,5-dihydroxybenzaldehyde |
Description: | 3,5-Dihydroxybenzaldehyde (CAS# 26153-38-8) is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures. It is used in the synthesis of Terbutaline (T109750), which is an important bronchodilator. |
Molecular Weight: | 138.12 |
Molecular Formula: | C7H6O3 |
Canonical SMILES: | C1=C(C=C(C=C1O)O)C=O |
InChI: | InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H |
InChI Key: | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
Boiling Point: | 324.3 °C at 760 mmHg |
Density: | 1.409 g/cm3 |
MDL: | MFCD00016611 |
LogP: | 0.91030 |
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 |
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PMID | Publication Date | Title | Journal |
22120111 | 20120301 | Radical-induced oxidation of trans-resveratrol | Biochimie |
21687874 | 20110728 | Ion pair receptors based on anion-π interaction | Chemical communications (Cambridge, England) |
19454555 | 20110101 | Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea | Evidence-based complementary and alternative medicine : eCAM |
22131621 | 20110101 | Stability-indicating HPLC Method for Simultaneous Determination of Terbutaline Sulphate, Bromhexine Hydrochloride and Guaifenesin | Indian journal of pharmaceutical sciences |
20155763 | 20100315 | Liquid chromatographic/electrospray ionization mass spectrometric identification of the oxidation end-products of trans-resveratrol in aqueous solutions | Rapid communications in mass spectrometry : RCM |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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