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824401-12-9 | Benzene, (1-methyl-2-phenylpentyl)-
CAS No: 824401-12-9 Catalog No: AG004WAV MDL No:
Product Description
Catalog Number:
AG004WAV
Chemical Name:
Benzene, (1-methyl-2-phenylpentyl)-
CAS Number:
824401-12-9
Molecular Formula:
C18H22
Molecular Weight:
238.3673
IUPAC Name:
2-phenylhexan-3-ylbenzene
InChI:
InChI=1S/C18H22/c1-3-10-18(17-13-8-5-9-14-17)15(2)16-11-6-4-7-12-16/h4-9,11-15,18H,3,10H2,1-2H3
InChI Key:
YIAHABPLUNYETF-UHFFFAOYSA-N
SMILES:
CCCC(C(c1ccccc1)C)c1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.172g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.374g/mol
Monoisotopic Mass:
238.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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