CCCCCCCC1=CC=CC=C1
CAS: 1078-71-3
Nombre: heptylbenzene
SMILES: CCCCCCCC1=CC=CC=C1

Molecular Processing

Molecular formula
C13H20
Molecular weight
176.3
Exact mass
176.1565
XLogP
4.2
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
6
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
58.91

Supplementary Information

InChIKey: LBNXAWYDQUGHGX-UHFFFAOYSA-N
Sinónimos
Heptylbenzene1078-71-3n-Heptylbenzene1-PHENYLHEPTANEBenzene, heptyl-1-heptylbenzeneHeptane, 1-phenyl-Heptane, 1(or 7)-phenyl-phenylheptaneMFCD0000954512UC21C7SNNSC-97413Heptane, phenyl-UNII-12UC21C7SNheptyl-benzeneNSC97413EINECS 214-084-3NSC 974131-Phenylheptane, 98%SCHEMBL57721SCHEMBL139446SCHEMBL152118SCHEMBL258358SCHEMBL302914SCHEMBL919381SCHEMBL2761679SCHEMBL2827738SCHEMBL4358420SCHEMBL6249417SCHEMBL6471921
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