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16442-14-1 | Benzene, 1-methyl-2,4,5-tris(1-methylethyl)-
CAS No: 16442-14-1 Catalog No: AG001UVL MDL No:
Product Description
Catalog Number:
AG001UVL
Chemical Name:
Benzene, 1-methyl-2,4,5-tris(1-methylethyl)-
CAS Number:
16442-14-1
Molecular Formula:
C16H26
Molecular Weight:
218.3776
IUPAC Name:
1-methyl-2,4,5-tri(propan-2-yl)benzene
InChI:
InChI=1S/C16H26/c1-10(2)14-9-16(12(5)6)15(11(3)4)8-13(14)7/h8-12H,1-7H3
InChI Key:
FTNSAZJLSGBXSM-UHFFFAOYSA-N
SMILES:
CC(c1cc(C(C)C)c(cc1C(C)C)C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.203g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.384g/mol
Monoisotopic Mass:
218.203g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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