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163489-55-2 | Benzene, 1-methyl-2-(2-methyl-3-penten-1-yl)-
CAS No: 163489-55-2 Catalog No: AG001U5K MDL No:
Product Description
Catalog Number:
AG001U5K
Chemical Name:
Benzene, 1-methyl-2-(2-methyl-3-penten-1-yl)-
CAS Number:
163489-55-2
Molecular Formula:
C13H18
Molecular Weight:
174.2820
IUPAC Name:
1-methyl-2-(2-methylpent-3-enyl)benzene
InChI:
InChI=1S/C13H18/c1-4-7-11(2)10-13-9-6-5-8-12(13)3/h4-9,11H,10H2,1-3H3
InChI Key:
VSUMLQVNDOFAPG-UHFFFAOYSA-N
SMILES:
CC=CC(Cc1ccccc1C)C
Properties
Complexity:
157
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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