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2-hexadecyloctadecanoic acid

2-hexadecyloctadecanoic acid

CAS: 89547-15-9

Formula: C34H68O2

SMILES: CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(O)=O

IUPAC: 2-hexadecyloctadecanoic acid

InChI: InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36)

Composition: C (80.24%), H (13.47%), O (6.29%)

Molar Mass: 508.916

Atom Count: 104

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 508.52193143
Formal Charge 0
FSP3 0.97
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LPZKXVVBAZTEMK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 159.88
Topological Polar Surface Area 37.3
Polarizability 63.94
Ring Count 0
Rotatable Bond Count 31

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