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146558-42-1 | Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-
CAS No: 146558-42-1 Catalog No: AG001E4X MDL No:
Product Description
Catalog Number:
AG001E4X
Chemical Name:
Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-
CAS Number:
146558-42-1
Molecular Formula:
C13H18
Molecular Weight:
174.2820
IUPAC Name:
1-(3,3-dimethylbut-1-en-2-yl)-3-methylbenzene
InChI:
InChI=1S/C13H18/c1-10-7-6-8-12(9-10)11(2)13(3,4)5/h6-9H,2H2,1,3-5H3
InChI Key:
PEAIPOWGIUBVPV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=C)C(C)(C)C
Properties
Complexity:
183
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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