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ethyl hexanoate

ethyl hexanoate

CAS: 123-66-0

Formula: C8H16O2

SMILES: CCCCCC(=O)OCC

IUPAC: ethyl hexanoate

InChI: InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3

Composition: C (66.63%), H (11.18%), O (22.19%)

Molar Mass: 144.214

Atom Count: 26

Heavy Atom Count: 10

Properties
Properties
Common Names ethylhexanoate
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 144.115029755
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.59
Topological Polar Surface Area 26.3
Polarizability 16.23
Ring Count 0
Rotatable Bond Count 6

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