3-(2,5-Dimethoxyphenyl)propionic acid - CAS 10538-49-5

Name: 3-(2,5-Dimethoxyphenyl)propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001632
Product Name:	3-(2,5-Dimethoxyphenyl)propionic acid
CAS:	10538-49-5
Synonyms:	3-(2,5-dimethoxyphenyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(2,5-dimethoxyphenyl)propanoic acid
Description:	3-(2,5-Dimethoxyphenyl)propionic acid (CAS# 10538-49-5 ) is a useful research chemical.
Molecular Weight:	210.23
Molecular Formula:	C11H14O4
Canonical SMILES:	COC1=CC(=C(C=C1)OC)CCC(=O)O
InChI:	InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChI Key:	JENQUCZZZGYHRW-UHFFFAOYSA-N
Boiling Point:	353.3 °C at 760 mmHg
Melting Point:	66-69 °C(lit.)
Purity:	95 %
Density:	1.159 g/cm³
Appearance:	Powder, crystals, crystalline powder and/or chunks
MDL:	MFCD00060325
LogP:	1.72100

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2015299215-A1	Spiro ring compound as hepatitis c virus (hcv) inhibitor and uses thereof	20121129
US-9416139-B2	Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof	20121129
WO-2014082381-A1	Spiro ring compounds as hepatitis c virus inhibitors, pharmaceutical compositions and uses thereof	20121129
EP-2900656-B1	Spiro ring compounds as hepatitis c virus (hcv) inhibitors	20120928
US-2015232509-A1	Spiro ring compounds as hepatitis c virus (hcv) inhibitors	20120928

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.08920892
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.08920892
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7