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4-Allyltoluene

CAS No.:
3333-13-9
Catalog Number:
AG003KN9
Molecular Formula:
C10H12
Molecular Weight:
132.2023
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Product Description
Catalog Number:
AG003KN9
Chemical Name:
4-Allyltoluene
CAS Number:
3333-13-9
Molecular Formula:
C10H12
Molecular Weight:
132.2023
MDL Number:
MFCD00048186
IUPAC Name:
1-methyl-4-prop-2-enylbenzene
InChI:
InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3
InChI Key:
WAEOXIOXMKNFLQ-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(cc1)C
EC Number:
222-063-5
NSC Number:
73971
Properties
Complexity:
96.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.094g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.206g/mol
Monoisotopic Mass:
132.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Rapid determination of volatile constituents in safflower by microwave distillation and simultaneous solid-phase microextraction coupled with gas chromatography-mass spectrometry. Annali di chimica 20071001
Properties