Catalog Number
ACM16642936
Product Name
3-Cyanocinnamic acid
Category
Heterocyclic Organic Compound
Synonyms
3-(3-Cyanophenyl)acrylic acid
IUPAC Name
(E)-3-(3-Cyanophenyl)prop-2-enoic acid
Molecular Formula
C10H7NO2
Canonical SMILES
C1=CC(=CC(=C1)C#N)C=CC(=O)O
InChI
InChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/b5-4+
InChI Key
WEYFZKRRQZYAJI-SNAWJCMRSA-N
Boiling Point
357.9±25.0 °C
Isomeric SMILES
C1=CC(=CC(=C1)C#N)/C=C/C(=O)O
Monoisotopic Mass
173.047678466
Storage Conditions
Dry place,Room Temperature
Topological Polar Surface Area
61.1 Ų
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