3,5-Dihydroxyphenylacetic acid
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3,5-Dihydroxyphenylacetic acid
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CAS No:
4670-09-1
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Formula:
C8H8O4
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Chemical Name:
3,5-Dihydroxyphenylacetic acid
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Synonyms:
Benzeneacetic acid,3,5-dihydroxy-;Acetic acid,(3,5-dihydroxyphenyl)-;3,5-Dihydroxybenzeneacetic acid;3,5-Dihydroxyphenylacetic acid;2-(3,5-Dihydroxyphenyl)acetic acid
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CAS No:
Description
3,5-dihydroxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid carrying two hydroxy substituents at positions 3 and 5 on the benzene ring. It has a role as a drug metabolite. It is a monocarboxylic acid, a member of resorcinols and a member of phenylacetic acids. It derives from a phenylacetic acid.
Characteristics
77.76000
0.05
1.5±0.1 g/cm3
126-127 °C
416.1±14.0 °C at 760 mmHg
219.6±16.6 °C
1.643
Computed Properties
Molecular Weight:168.15
XLogP3:0.7
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:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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