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19219-86-4 | Benzene, (1-ethyl-2-methylpropyl)-
CAS No: 19219-86-4 Catalog No: AG002FQ3 MDL No:
Product Description
Catalog Number:
AG002FQ3
Chemical Name:
Benzene, (1-ethyl-2-methylpropyl)-
CAS Number:
19219-86-4
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
2-methylpentan-3-ylbenzene
InChI:
InChI=1S/C12H18/c1-4-12(10(2)3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3
InChI Key:
KXKQNZYTNYNPED-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C(C)C
Properties
Complexity:
109
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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