α,3,4-Trihydroxybenzeneacetaldehyde
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α,3,4-Trihydroxybenzeneacetaldehyde
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CAS No:
13023-73-9
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Formula:
C8H8O4
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Chemical Name:
α,3,4-Trihydroxybenzeneacetaldehyde
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Synonyms:
Benzeneacetaldehyde,α,3,4-trihydroxy-;Mandelaldehyde,3,4-dihydroxy-;α,3,4-Trihydroxybenzeneacetaldehyde;3,4-Dihydroxyphenylglycolaldehyde;3,4-Dihydroxyphenylglycolic aldehyde;3,4-Dihydroxymandelaldehyde;Dopegal;2-(3,4-Dihydroxyphenyl)-2-hydroxyacetaldehyde;2-(3,4-Dihydroxyphenyl)-2-hydroxy-acetaldehyde
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CAS No:
Description
ChEBI: An aldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions
Solid
3,4-dihydroxymandelaldehyde is an aldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions It has a role as a metabolite, a neurotoxin and a mouse metabolite. It is a member of catechols and an aldehyde.
Characteristics
77.8
-0.6
Solid
1.466±0.06 g/cm3(Predicted)
391.9±42.0 °C(Predicted)
205ºC
1.639
7.64E-07mmHg at 25°C
Computed Properties
Molecular Weight:168.15
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:77.8
Heavy Atom Count:12
Complexity:159
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
α,3,4-Trihydroxybenzeneacetaldehyde
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