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1601-71-4 | Benzene, 2-butyl-1,4-dimethyl-
CAS No: 1601-71-4 Catalog No: AG001ROQ MDL No:
Product Description
Catalog Number:
AG001ROQ
Chemical Name:
Benzene, 2-butyl-1,4-dimethyl-
CAS Number:
1601-71-4
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
2-butyl-1,4-dimethylbenzene
InChI:
InChI=1S/C12H18/c1-4-5-6-12-9-10(2)7-8-11(12)3/h7-9H,4-6H2,1-3H3
InChI Key:
ZRJNQRHSLVSHNI-UHFFFAOYSA-N
SMILES:
CCCCc1cc(C)ccc1C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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