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3,5-Dimethoxycinnamic acid, predominantly trans

3,5-Dimethoxycinnamic acid, predominantly trans - CAS 16909-11-8

Name: 3,5-Dimethoxycinnamic acid, predominantly trans
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012519
Product Name:	3,5-Dimethoxycinnamic acid, predominantly trans
CAS:	16909-11-8
Synonyms:	(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid
Description:	3,5-Dimethoxycinnamic acid, predominantly trans (CAS# 16909-11-8) is a useful research chemical.
Molecular Weight:	208.21
Molecular Formula:	C11H12O4
Canonical SMILES:	COC1=CC(=CC(=C1)C=CC(=O)O)OC
InChI:	InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b4-3+
InChI Key:	VLSRUFWCGBMYDJ-ONEGZZNKSA-N
Boiling Point:	377.1 °C at 760 mmHg
Purity:	98 %
Density:	1.203 g/cm³
Appearance:	White to light beige powder
MDL:	MFCD00004389
LogP:	1.80160

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111072638-A	Method for preparing AZD4547, intermediate and preparation method of intermediate	20191213
CN-111072638-B	Method for preparing AZD4547, intermediate and preparation method of intermediate	20191213
WO-2019109188-A1	Acyl hydrazone linkers, methods and uses thereof	20171206
CA-3084092-A1	Acyl hydrazone linkers, methods and uses thereof	20171206
EP-3720842-A1	Acyl hydrazone linkers, methods and uses thereof	20171206

PMID	Publication Date	Title	Journal
15144208	20040515	2,5-Dihydroxybenzoic acid butylamine and other ionic liquid matrixes for enhanced MALDI-MS analysis of biomolecules	Analytical chemistry
12146169	20020701	Seed dressings to control slug damage in oilseed rape	Pest management science

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	208.07355886
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.07355886
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8