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1198-90-9 | Benzene, 2-ethyl-4-methyl-1-(1-methylethyl)-
CAS No: 1198-90-9 Catalog No: AG000POL MDL No:
Product Description
Catalog Number:
AG000POL
Chemical Name:
Benzene, 2-ethyl-4-methyl-1-(1-methylethyl)-
CAS Number:
1198-90-9
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
2-ethyl-4-methyl-1-propan-2-ylbenzene
InChI:
InChI=1S/C12H18/c1-5-11-8-10(4)6-7-12(11)9(2)3/h6-9H,5H2,1-4H3
InChI Key:
VYQWKXMBHSGIFX-UHFFFAOYSA-N
SMILES:
CCc1cc(C)ccc1C(C)C
Properties
Complexity:
126
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:
4.2
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