chempirical

cis-Beta-methylstyrene

C9H10CAS 766-90-5118.18 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C9H10
Molar mass
118.18 g/mol
Exact mass
118.0783 Da
logP
2.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
766-90-5
SMILES
C/C=C\C1=CC=CC=C1
InChIKey
QROGIFZRVHSFLM-KXFIGUGUSA-N
InChI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Beta-Methylstyrene, cis-

Work with cis-Beta-methylstyrene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

β-Methylstyrene637-50-3Stereo not defined trans-Propenylbenzene873-66-5Diastereomer

Similar compounds

(E)-Stilbene103-30-065 % similar (Z)-Stilbene645-49-865 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-758 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-858 % similar 1,4-Diphenyl-1,3-butadiene886-65-758 % similar Beta-Bromostyrene103-64-050 % similar Anethole104-46-148 % similar Anethole4180-23-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylstyrene100-80-1 Phenylpropene300-57-2 Indane496-11-7 2-Methylstyrene611-15-4 4-Vinyltoluene622-97-9 Phenylcyclopropane873-49-4

Elsewhere

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