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163489-54-1 | Benzene, 1-(3-hexen-1-yl)-2-methyl-
CAS No: 163489-54-1 Catalog No: AG001U5L MDL No:
Product Description
Catalog Number:
AG001U5L
Chemical Name:
Benzene, 1-(3-hexen-1-yl)-2-methyl-
CAS Number:
163489-54-1
Molecular Formula:
C13H18
Molecular Weight:
174.2820
IUPAC Name:
1-hex-3-enyl-2-methylbenzene
InChI:
InChI=1S/C13H18/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3
InChI Key:
KRLQTXBKJMUYMD-UHFFFAOYSA-N
SMILES:
CCC=CCCc1ccccc1C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.287g/mol
Monoisotopic Mass:
174.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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