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14411-56-4 | Benzene, 1-(1,1-dimethylethyl)-3-ethyl-
CAS No: 14411-56-4 Catalog No: AG001IYW MDL No:MFCD00060845
Product Description
Catalog Number:
AG001IYW
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-3-ethyl-
CAS Number:
14411-56-4
Molecular Formula:
C12H18
Molecular Weight:
162.2713
MDL Number:
MFCD00060845
IUPAC Name:
1-tert-butyl-3-ethylbenzene
InChI:
InChI=1S/C12H18/c1-5-10-7-6-8-11(9-10)12(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
MUJPTTGNHRHIPH-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)C(C)(C)C
Properties
Complexity:
130
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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