3,5-Dihydroxybenzyl alcohol - CAS 29654-55-5
Catalog: |
BB020262 |
Product Name: |
3,5-Dihydroxybenzyl alcohol |
CAS: |
29654-55-5 |
Synonyms: |
5-(hydroxymethyl)benzene-1,3-diol |
IUPAC Name: | 5-(hydroxymethyl)benzene-1,3-diol |
Description: | 3,5-Dihydroxybenzyl alcohol (CAS# 29654-55-5) is a used as a dendrimer building block. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | C1=C(C=C(C=C1O)O)CO |
InChI: | InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2 |
InChI Key: | NGYYFWGABVVEPL-UHFFFAOYSA-N |
Boiling Point: | 216.62 °C (rough estimate) |
Melting Point: | 182-186 °C |
Purity: | 95 % |
Density: | 1.2127 (rou gh estimate) |
Appearance: | White to light yellow to light red powder to crystal |
Storage: | Refrigerator |
MDL: | MFCD00016867 |
LogP: | 0.59010 |
Refractive Index: | 1.4638 (estimate) |
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 |
23054715 | 20120901 | Inhibition of DNA topoisomerases I and II of compounds from Reynoutria japonica | Archives of pharmacal research |
22738369 | 20120731 | Synthesis and characterization of novel pyrene-dendronized porphyrins exhibiting efficient fluorescence resonance energy transfer: optical and photophysical properties | Langmuir : the ACS journal of surfaces and colloids |
22689433 | 20120101 | Cuspidans A and B, two new stilbenoids from the bark of Gnetum cuspidatum | Chemical & pharmaceutical bulletin |
19653627 | 20090826 | Improving the stability and antioxidant properties of sesame oil: water-soluble spray-dried emulsions from new transesterified phenolic derivatives | Journal of agricultural and food chemistry |
21584005 | 20090408 | [3,5-Bis(benz-yloxy)phen-yl]methanol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 95 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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