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7364-19-4 | 1-TERT-BUTYL-4-ETHYLBENZENE
CAS No: 7364-19-4 Catalog No: AG005C4F MDL No:
Product Description
Catalog Number:
AG005C4F
Chemical Name:
1-TERT-BUTYL-4-ETHYLBENZENE
CAS Number:
7364-19-4
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
1-tert-butyl-4-ethylbenzene
InChI:
InChI=1S/C12H18/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
OYBFKZHDPTTWGE-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(C)(C)C
EC Number:
230-903-7
NSC Number:
159030
Properties
Complexity:
122
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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