5-Bromo-2-methoxycinnamic acid

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Catalog Number
ACM40803530
Product Name
5-Bromo-2-methoxycinnamic acid
Structure
Structure
CAS
40803-53-0
Category
Heterocyclic Organic Compound
Synonyms
Acide bromo-5-methoxy-2-cinnamique
IUPAC Name
(E)-3-(5-Bromo-2-methoxyphenyl)prop-2-enoic acid
Molecular Weight
257.08
Molecular Formula
C10H9BrO3
Canonical SMILES
COC1=C(C=C(C=C1)Br)C=CC(=O)O
InChI
InChI=1S/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
InChI Key
QABZTGNRWBRJBO-GORDUTHDSA-N
Boiling Point
382 °C
Melting Point
224-227 °C
Flash Point
185 °C
Density
1.555 g/mL at 25 °C(lit.)
Exact Mass
255.97351
Isomeric SMILES
COC1=C(C=C(C=C1)Br)/C=C/C(=O)O
Monoisotopic Mass
255.97351
Topological Polar Surface Area
46.5 Ų
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