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126028-50-0 | BENZENE, 1-(1-METHYLETHYL)-2-PROPYL-
CAS No: 126028-50-0 Catalog No: AG000QS5 MDL No:
Product Description
Catalog Number:
AG000QS5
Chemical Name:
BENZENE, 1-(1-METHYLETHYL)-2-PROPYL-
CAS Number:
126028-50-0
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
1-propan-2-yl-2-propylbenzene
InChI:
InChI=1S/C12H18/c1-4-7-11-8-5-6-9-12(11)10(2)3/h5-6,8-10H,4,7H2,1-3H3
InChI Key:
XNVONTNIANKYKT-UHFFFAOYSA-N
SMILES:
CCCc1ccccc1C(C)C
Properties
Complexity:
115
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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