2-Bromo-4,5-dimethoxycinnamic acid

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Catalog Number
ACM151539525
Product Name
2-Bromo-4,5-dimethoxycinnamic acid
Structure
Structure
CAS
151539-52-5
Category
Heterocyclic Organic Compound
Synonyms
6-Bromo-3,4-dimethoxycinnamic acid
IUPAC Name
(E)-3-(2-Bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
Molecular Weight
287.11
Molecular Formula
C11H11BrO4
Canonical SMILES
COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OC
InChI
InChI=1S/C11H11BrO4/c1-15-9-5-7(3-4-11(13)14)8(12)6-10(9)16-2/h3-6H,1-2H3,(H,13,14)/b4-3+
InChI Key
MSJCWIFRXCLULX-ONEGZZNKSA-N
Boiling Point
409.5ºC at 760mmHg
Melting Point
253-259 °C
Flash Point
201.4ºC
Density
1.517g/cm³
Exact Mass
285.98407
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
1
Isomeric SMILES
COC1=C(C=C(C(=C1)/C=C/C(=O)O)Br)OC
Monoisotopic Mass
285.98407
Safety Description
S37/39
Topological Polar Surface Area
55.8 Ų
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