3-(3′-Hydroxyphenyl)propionic acid
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3-(3′-Hydroxyphenyl)propionic acid
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CAS No:
621-54-5
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Formula:
C9H10O3
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Chemical Name:
3-(3′-Hydroxyphenyl)propionic acid
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Synonyms:
Benzenepropanoic acid,3-hydroxy-;Hydrocinnamic acid,m-hydroxy-;3-Hydroxybenzenepropanoic acid;m-Hydroxyphenylpropionic acid;β-(m-Hydroxyphenyl)propionic acid;3-(m-Hydroxyphenyl)propionic acid;3-Hydroxyphenylpropionic acid;β-(3-Hydroxyphenyl)propionic acid;Dihydro-m-coumaric acid;3-Hydroxydihydrocinnamic acid;3-(3-Hydroxyphenyl)propionic acid;3-(3-Hydroxyphenyl)propanoic acid;NSC 33135;NSC 39468;3-(3′-Hydroxyphenyl)propionic acid;MFCD 00002598;m-Hydroxybenzene propanoic acid
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CAS No:
Description
3-(3-Hydroxyphenyl)propionic acid is a flavonoid metabolite formed by human microflora. 3-(3-Hydroxyphenyl)propionic acid shows vasodilatory activity[1].
Solid
3-(3-hydroxyphenyl)propanoic acid is a monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. It has a role as a human xenobiotic metabolite and an Escherichia coli metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-(3-hydroxyphenyl)propanoate.
3-(3′-Hydroxyphenyl)propionic acid Basic Attributes
166.17
166.17
210-692-8
FJ68OF1P7C
39468|33135
DTXSID00211154
2918290000
Characteristics
57.5
1.4
Solid
1.26 g/cm3
99-100 °C
354.5°C at 760 mmHg
182.4ºC
1.58
1.737e+004 mg/L @ 25 °C (est)
136.11 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
R36/37/38
S26-S36/37/39
MW5340000
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
3-(3-hydroxyphenyl)propanoic acid is a known human metabolite of 3,4-dihydroxyphenylpropionic acid.
3-(3-hydroxyphenyl)propionate
3-(3′-Hydroxyphenyl)propionic acid Use and Manufacturing
3-Hydroxyphenylpropionic Acid was found as an urinary metabolite of Procyanidins in pigs. 3-Hydroxyphenylpropionic Acid is also an intermediate in the synthesis of various organic synthetic products .
Computed Properties
Molecular Weight:166.17
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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