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undecylbenzene

undecylbenzene

CAS: 6742-54-7

Formula: C17H28

SMILES: CCCCCCCCCCCC1=CC=CC=C1

IUPAC: undecylbenzene

InChI: InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3

Composition: C (87.86%), H (12.14%)

Molar Mass: 232.411

Atom Count: 45

Heavy Atom Count: 17

Properties
Properties
Common Names linear alkylbenzene
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 232.2191009016
Formal Charge 0
FSP3 0.65
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey XBEADGFTLHRJRB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 77.11
Topological Polar Surface Area 0
Polarizability 30.63
Ring Count 1
Rotatable Bond Count 10

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