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14679-13-1 | Benzene, 1,3,5-trimethyl-2-(1-methylethenyl)-
CAS No: 14679-13-1 Catalog No: AG001EC0 MDL No:
Product Description
Catalog Number:
AG001EC0
Chemical Name:
Benzene, 1,3,5-trimethyl-2-(1-methylethenyl)-
CAS Number:
14679-13-1
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
1,3,5-trimethyl-2-prop-1-en-2-ylbenzene
InChI:
InChI=1S/C12H16/c1-8(2)12-10(4)6-9(3)7-11(12)5/h6-7H,1H2,2-5H3
InChI Key:
KNMWUHBKZHDEOQ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=C)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:
160.125g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.26g/mol
Monoisotopic Mass:
160.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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