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4-Allyltoluene

CAT: 0024-sc-226469Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226469Size:5 g
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CAS Number
3333-13-9

Chemical Information

4-Allyltoluene

used as a stabilizer for volatile halohydrocarbons; structure in first source

CAS Number3333-13-9
PubChem CID76851
IUPAC Name1-methyl-4-prop-2-enylbenzene
Molecular FormulaC10H12
Molecular Weight132.20
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity96
SMILES
CC1=CC=C(C=C1)CC=C
InChI
InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3
InChIKey
WAEOXIOXMKNFLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Allyltoluene
CAS: 3333-13-9
CID: 76851
Formula: C10H12
MW: 132.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.20
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass132.093900383
Monoisotopic Mass132.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity96.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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