Free Chemical Databases
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[Synonyms]
Styrene, m-ethyl-
3-Ethylstyrene
m-Ethylvinylbenzene
M-ETHYLSTYRENE
m-Ethyl vinylbenzen [Czech]
Benzene, 1-ethenyl-3-ethyl-
EINECS 231-386-0
BRN 1920912
LS-147219
3-05-00-01217 (Beilstein Handbook Reference)
[Structure]
[ Properties Computed from Structure]
Molecular Weight 132.20228 [g/mol] Molecular Formula C10H12 XLogP 3.9 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 2 Exact Mass 132.0939 MonoIsotopic Mass 132.0939 Topological Polar Surface Area 0 Heavy Atom Count 10 Formal Charge 0 Complexity 105 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-ethenyl-3-ethylbenzene
Canonical SMILES: CCC1=CC=CC(=C1)C=C
InChI: InChI=1/C10H12/c1-3-9-6-5-7-10(4-2)8-9/h3,5-8H,1,4H2,2H3
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