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841-07-6 | Benzene, 1,3,5-tributyl-
CAS No: 841-07-6 Catalog No: AG0050AY MDL No:
Product Description
Catalog Number:
AG0050AY
Chemical Name:
Benzene, 1,3,5-tributyl-
CAS Number:
841-07-6
Molecular Formula:
C18H30
Molecular Weight:
246.4308
IUPAC Name:
1,3,5-tributylbenzene
InChI:
InChI=1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3
InChI Key:
AVYPEYYPGYMFDO-UHFFFAOYSA-N
SMILES:
CCCCc1cc(CCCC)cc(c1)CCCC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.438g/mol
Monoisotopic Mass:
246.235g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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