3′,4′-Methylenedioxymandelic acid
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3′,4′-Methylenedioxymandelic acid
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CAS No:
27738-46-1
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Formula:
C9H8O5
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Chemical Name:
3′,4′-Methylenedioxymandelic acid
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Synonyms:
1,3-Benzodioxole-5-acetic acid,α-hydroxy-;Mandelic acid,3,4-(methylenedioxy)-;α-Hydroxy-1,3-benzodioxole-5-acetic acid;3,4-(Methylenedioxy)mandelic acid;3,4-(Methylenedioxy)benzeneglycolic acid;3′,4′-Methylenedioxymandelic acid;2-Hydroxy-2-(3,4-methylenedioxyphenyl)acetic acid;2-(2H-1,3-Benzodioxol-5-yl)-2-hydroxyacetic acid;2-(1,3-Benzodioxol-5-yl)-2-hydroxyacetic acid;73522-66-4
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CAS No:
Description
ChEBI: A 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group.
3,4-methylenedioxymandelic acid is a 2-hydroxy monocarboxylic acid that is mandelic acid in which positions 3 and 4 on the benzene ring are substituted by a methylenedioxy group. It has a role as a metabolite. It is a 2-hydroxy monocarboxylic acid and a member of benzodioxoles. It derives from a mandelic acid.
Safety Information
NONH for all modes of transport
3
36/37/38
26
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:196.16
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:196.03717335
Monoisotopic Mass:196.03717335
Topological Polar Surface Area:76
Heavy Atom Count:14
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3′,4′-Methylenedioxymandelic acid
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