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5-oxooctanoic acid

5-oxooctanoic acid

CAS: 3637-14-7

Formula: C8H14O3

SMILES: CCCC(=O)CCCC(O)=O

IUPAC: 5-oxooctanoic acid

InChI: InChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2-6H2,1H3,(H,10,11)

Composition: C (60.74%), H (8.92%), O (30.34%)

Molar Mass: 158.197

Atom Count: 25

Heavy Atom Count: 11

Properties
Properties
Common Names 5-keto-n-caprylic acid
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 158.094294311
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OHGVWVVPDOAZSH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.92
Topological Polar Surface Area 54.37
Polarizability 16.09
Ring Count 0
Rotatable Bond Count 6

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