5-Methoxyresorcinol - CAS 2174-64-3
Catalog: |
BB017132 |
Product Name: |
5-Methoxyresorcinol |
CAS: |
2174-64-3 |
Synonyms: |
5-methoxybenzene-1,3-diol |
Application: |
5-Methoxyresorcinol (cas# 2174-64-3) is a useful research chemical. |
IUPAC Name: | 5-methoxybenzene-1,3-diol |
Description: | 5-Methoxyresorcinol (CAS# 2174-64-3) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | COC1=CC(=CC(=C1)O)O |
InChI: | InChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3 |
InChI Key: | HDVRLUFGYQYLFJ-UHFFFAOYSA-N |
Boiling Point: | 188-189 °C12 mmHg (lit.) |
Melting Point: | 78-80 °C (lit.) |
Flash Point: | 123°C |
Purity: | 98.0 % |
Density: | 1.270 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00002285 |
LogP: | 1.10640 |
Refractive Index: | 1.4638 (estimate) |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22065717 | 20111001 | (2,4-Dihy-droxy-6-meth-oxy-phen-yl)(3,5-dihy-droxy-phen-yl)methanone monohydrate | Acta crystallographica. Section E, Structure reports online |
21579171 | 20100421 | 1-(2,6-Dihydr-oxy-4-methoxy-phen-yl)-3-phenyl-propan-1-one | Acta crystallographica. Section E, Structure reports online |
18500808 | 20080625 | Stopped-flow kinetic study of the aroxyl radical-scavenging action of catechins and vitamin C in ethanol and micellar solutions | Journal of agricultural and food chemistry |
16109305 | 20050915 | Kinetic study of the quenching reaction of singlet oxygen by tea catechins in ethanol solution | Free radical biology & medicine |
15808422 | 20050501 | Structure-activity relationship of the tocopherol-regeneration reaction by catechins | Free radical biology & medicine |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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