trans-2-Methoxycinnamic acid
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trans-2-Methoxycinnamic acid
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CAS No:
1011-54-7
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Formula:
C10H10O3
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Chemical Name:
trans-2-Methoxycinnamic acid
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Synonyms:
2-Propenoic acid,3-(2-methoxyphenyl)-,(2E)-;Cinnamic acid,o-methoxy-,(E)-;2-Propenoic acid,3-(2-methoxyphenyl)-,(E)-;Cinnamic acid,o-methoxy-,trans-;(2E)-3-(2-Methoxyphenyl)-2-propenoic acid;trans-2-Methoxycinnamic acid;(E)-o-Methoxycinnamic acid;(E)-2-Methoxycinnamic acid;(E)-3-(2-Methoxyphenyl)acrylic acid;trans-3-(2-Methoxyphenyl)-2-propenoic acid;trans-o-Methoxycinnamic acid;(E)-3-(2-Methoxyphenyl)-2-propenoic acid;(E)-2-Methoxycinnamic acid;(E)-3-(2-Methoxyphenyl)acrylic acid;(2E)-3-(2-Methoxyphenyl)prop-2-enoic acid
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CAS No:
Description
(E)-2-methoxycinnamic acid is a member of the class of cinnamic acids that is trans-cinnamic acid carrying a methoxy substituent at position 2 on the benzene ring. It has a role as a Brassica napus metabolite and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of cinnamic acids and a monomethoxybenzene. It derives from a trans-cinnamic acid.
Characteristics
46.53000
2.42
1.2±0.1 g/cm3
182 °C
325.1±17.0 °C at 760 mmHg
130.3±14.4 °C
1.591
9.64E-05mmHg at 25°C
Safety Information
3
R36/37/38
26-37/39
Xi: Irritant;
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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 126 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:178.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:198
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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