2-Phenyl-2-butenal

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Catalog Number
ACM4411896
Product Name
2-Phenyl-2-butenal
Structure
Structure
CAS
4411-89-6
Category
Heterocyclic Organic Compound
Synonyms
(2Z)-2-Phenyl-2-butenal
IUPAC Name
(E)-2-Phenylbut-2-enal
Molecular Weight
146.19
Molecular Formula
C10H10O
Canonical SMILES
CC=C(C=O)C1=CC=CC=C1
InChI
InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
InChI Key
DYAOGZLLMZQVHY-MBXJOHMKSA-N
Boiling Point
177 °C
Flash Point
222 °F
Density
1.034 g/mL at 25 °C(lit.)
Solubility
Soluble in oils; Insoluble in water
Exact Mass
146.073164938
H-Bond Acceptor
1
H-Bond Donor
0
Isomeric SMILES
C/C=C(/C=O)\C1=CC=CC=C1
Monoisotopic Mass
146.073164938
Odor
Green, floral, woody
Physical State
Liquid
Refractive Index
n20/D 1.561(lit.)
Safety Description
26-36
Topological Polar Surface Area
17.1 Ų
WGK Germany
3
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