3-(3,4-Dimethoxyphenyl)propionic acid
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3-(3,4-Dimethoxyphenyl)propionic acid
structure -
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CAS No:
2107-70-2
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Formula:
C11H14O4
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Chemical Name:
3-(3,4-Dimethoxyphenyl)propionic acid
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Synonyms:
Benzenepropanoic acid,3,4-dimethoxy-;Hydrocinnamic acid,3,4-dimethoxy-;3,4-Dimethoxybenzenepropanoic acid;3-(3,4-Dimethoxyphenyl)propionic acid;β-(3,4-Dimethoxyphenyl)propionic acid;3,4-Dimethoxyhydrocinnamic acid;3,4-Dimethoxyphenylpropionic acid;3-(3,4-Dimethoxyphenyl)propanoic acid;3,4-Dimethoxybenzenepropionic acid;3,4-Dimethoxydihydrocinnamic acid;NSC 76043
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CAS No:
Description
3-(3,4-Dimethoxyphenyl)propanoic acid is an orally active short-chain fatty acids (SCFAs). 3-(3,4-Dimethoxyphenyl)propanoic acid stimulates γ globin gene expression, erythropoiesis in vivo and is used for the β hemoglobinopathies and other anemias[1].
3-(3,4-dimethoxyphenyl)propanoic acid is a monocarboxylic acid that is propanoic acid substituted by a 3,4-dimethoxyphenyl group at position 3. It is a monocarboxylic acid and a dimethoxybenzene. It derives from a propionic acid.
3-(3,4-Dimethoxyphenyl)propionic acid Basic Attributes
210.23
210.23
218-288-3
6XO32ZSP1D
76043
DTXSID70175294
2918990090
Characteristics
55.8
1.2
Very slightly beige powder.
1.2±0.1 g/cm3
98-99 °C
344.2°C at 760 mmHg
132.0±17.2 °C
1.522
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2.56E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S22-S24/25
Xi: Irritant;
Stable under normal temperatures and pressures.
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.
3-(3,4-Dimethoxyphenyl)propionic acid Use and Manufacturing
3-(3,4-Dimethoxyphenyl)propanoic Acid is one of the novel circulating coffee metabolites in human plasma.
Computed Properties
Molecular Weight:210.23
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:210.08920892
Monoisotopic Mass:210.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:15
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(3,4-Dimethoxyphenyl)propionic acid
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