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hexyl benzoate

hexyl benzoate

CAS: 6789-88-4

Formula: C13H18O2

SMILES: CCCCCCOC(=O)C1=CC=CC=C1

IUPAC: hexyl benzoate

InChI: InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3

Composition: C (75.69%), H (8.80%), O (15.51%)

Molar Mass: 206.285

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.13067982
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey UUGLJVMIFJNVFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.16
Topological Polar Surface Area 26.3
Polarizability 23.96
Ring Count 1
Rotatable Bond Count 7

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