3′-Hydroxyphenylacetic acid
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3′-Hydroxyphenylacetic acid
structure -
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CAS No:
621-37-4
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Formula:
C8H8O3
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Chemical Name:
3′-Hydroxyphenylacetic acid
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Synonyms:
Benzeneacetic acid,3-hydroxy-;Acetic acid,(m-hydroxyphenyl)-;3-Hydroxybenzeneacetic acid;(3-Hydroxyphenyl)acetic acid;(m-Hydroxyphenyl)acetic acid;2-(3-Hydroxyphenyl)acetic acid;NSC 14360;3′-Hydroxyphenylacetic acid;2-(3′-Hydroxyphenyl)acetic acid
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CAS No:
Description
White Powder
Solid
3-hydroxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. It has a role as a human xenobiotic metabolite. It is a monocarboxylic acid and a member of phenols. It derives from an acetic acid. It is a conjugate acid of a 3-hydroxyphenylacetate.
3′-Hydroxyphenylacetic acid Basic Attributes
152.15
152.15
2086506
210-684-4
K59Z6Z8REF
14360
DTXSID90211148
29182990
Characteristics
57.5
0.9
White to beige-brown Crystalline Powder
1.3±0.1 g/cm3
132 °C
190 °C
179.1±17.4 °C
1.596
1000.0 mg/mL
Store below +30°C.
135.74 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
Store in Freezer
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 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
3-hydroxyphenylacetic acid has known human metabolites that include 2-Phenylacetic acid.
3-hydroxybenzeneacetic acid
3′-Hydroxyphenylacetic acid Use and Manufacturing
Used as an important intermediate in pharmaceutical synthesis
Computed Properties
Molecular Weight:152.15
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Not yet clear
Recommended Suppliers of 3′-Hydroxyphenylacetic acid
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InquiryCAS No.: 621-37-4Grade: Industrial GradeContent: 99%
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