trans-3,4-Dimethoxycinnamic acid
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trans-3,4-Dimethoxycinnamic acid
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CAS No:
14737-89-4
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Formula:
C11H12O4
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Chemical Name:
trans-3,4-Dimethoxycinnamic acid
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Synonyms:
2-Propenoic acid,3-(3,4-dimethoxyphenyl)-,(2E)-;Cinnamic acid,3,4-dimethoxy-,(E)-;2-Propenoic acid,3-(3,4-dimethoxyphenyl)-,(E)-;(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid;3,4-Dimethoxy-trans-cinnamic acid;(E)-3,4-Dimethoxycinnamic acid;trans-3,4-Dimethoxycinnamic acid;(2E)-(3,4-Dimethoxyphenyl)-2-propenoic acid;trans-3-(3,4-Dimethoxyphenyl)-2-propenoic acid;trans-3,4-Di-O-methylcaffeic acid;(E)-3-(3,4-Dimethoxyphenyl)acrylic acid;(E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
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CAS No:
Description
Solid
3,4-dimethoxycinnamic acid is a methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively. It derives from a trans-cinnamic acid.
trans-3,4-Dimethoxycinnamic acid Basic Attributes
208.21100
208.21
219-025-5|238-801-4
BVZ841PVJL
43569|4323
Characteristics
55.76000
1.80160
1.203g/cm3
179.4-181.1 °C @ Solvent: Ethanol, Water
367.4ºC
1.573
989.3 mg/L @ 25 °C (est)
4.8E-06mmHg at 25°C
137.3 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
R36/37/38
37/39-26
Xi
|Warning|H302 (96.15%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, 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 26 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:208.21
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:15
Complexity:237
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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