trans-3-Hydroxycinnamic acid
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trans-3-Hydroxycinnamic acid
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CAS No:
14755-02-3
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Formula:
C9H8O3
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Chemical Name:
trans-3-Hydroxycinnamic acid
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Synonyms:
2-Propenoic acid,3-(3-hydroxyphenyl)-,(2E)-;Cinnamic acid,m-hydroxy-,(E)-;2-Propenoic acid,3-(3-hydroxyphenyl)-,(E)-;(2E)-3-(3-Hydroxyphenyl)-2-propenoic acid;trans-3-Hydroxycinnamic acid;trans-m-Coumaric acid;trans-m-Hydroxycinnamic acid;(E)-3-Hydroxycinnamic acid;(E)-3-(3-Hydroxyphenyl)acrylic acid;trans-3-(m-Hydroxyphenyl)-2-propenoic acid;Rans-3-hydroxycinnamic acid;(E)-m-Coumaric acid
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CAS No:
Description
Solid
3-coumaric acid is a monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. It has a role as a human xenobiotic metabolite and a plant metabolite. It is a conjugate acid of a 3-coumarate.
trans-3-Hydroxycinnamic acid Basic Attributes
164.16
164.047344113
209-615-0|604-589-0
KWJ2DDJ34H
50308|28956
29163990
Characteristics
0.928 (est)
192-194°C
373.00to374.00°C.@760.00mmHg(est)
2.709e+004 mg/L @ 25 °C (est)
Safety Information
|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 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:164.16
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:186
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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