trans-2-Hydroxycinnamic acid
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trans-2-Hydroxycinnamic acid
structure -
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CAS No:
614-60-8
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Formula:
C9H8O3
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Chemical Name:
trans-2-Hydroxycinnamic acid
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Synonyms:
2-Propenoic acid,3-(2-hydroxyphenyl)-,(2E)-;Cinnamic acid,o-hydroxy-,(E)-;2-Propenoic acid,3-(2-hydroxyphenyl)-,(E)-;(2E)-3-(2-Hydroxyphenyl)-2-propenoic acid;trans-o-Coumaric acid;trans-o-Hydroxycinnamic acid;trans-2-Hydroxycinnamic acid;o-Hydroxy-trans-cinnamic acid;(E)-o-Hydroxycinnamic acid;(E)-2-Hydroxycinnamic acid;NSC 32952;(E)-3-(2-Hydroxyphenyl)acrylic acid;Rans-2-hydroxycinnamic acid;(E)-o-Coumaric acid
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CAS No:
Description
off-white to beige powder
Solid
2-coumaric acid is a monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 2-coumarate.
Characteristics
57.5
1.5
Solid
1.3±0.1 g/cm3
214-215 °C (decomp)
348°C at 760 mmHg
178.5±17.4 °C
1.660
2.709e+004 mg/L @ 25 °C (est)
124.1 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
UN 2811
3
R22;R36/37/38
S26-S24/25-S36
GD9090000
Xi:Irritant;Xn:Harmful;
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (61.54%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 78 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
trans-2-Hydroxycinnamic acid Use and Manufacturing
2-Propenoic acid, 3-(2-hydroxyphenyl)-, (2E)-: ACTIVE
Computed Properties
Molecular Weight:164.16
XLogP3:1.5
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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