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1985-97-3 | Benzene, (1-ethyl-1-methylpropyl)-
CAS No: 1985-97-3 Catalog No: AG002BKL MDL No:MFCD22055361
Product Description
Catalog Number:
AG002BKL
Chemical Name:
Benzene, (1-ethyl-1-methylpropyl)-
CAS Number:
1985-97-3
Molecular Formula:
C12H18
Molecular Weight:
162.2713
MDL Number:
MFCD22055361
IUPAC Name:
3-methylpentan-3-ylbenzene
InChI:
InChI=1S/C12H18/c1-4-12(3,5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChI Key:
HZZKTLLPQSFICU-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(CC)C
Properties
Complexity:
116
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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