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127824-15-1 | Benzene, 1-ethyl-2-(2-methylpropyl)-
CAS No: 127824-15-1 Catalog No: AG000XFE MDL No:
Product Description
Catalog Number:
AG000XFE
Chemical Name:
Benzene, 1-ethyl-2-(2-methylpropyl)-
CAS Number:
127824-15-1
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
1-ethyl-2-(2-methylpropyl)benzene
InChI:
InChI=1S/C12H18/c1-4-11-7-5-6-8-12(11)9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChI Key:
XMRHRPOYXVMEEP-UHFFFAOYSA-N
SMILES:
CCc1ccccc1CC(C)C
Properties
Complexity:
115
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:
4.5
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