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ethyl 3-oxohexanoate

ethyl 3-oxohexanoate

CAS: 607-97-6

Formula: C8H14O3

SMILES: CCCC(=O)CC(=O)OCC

IUPAC: ethyl 3-oxohexanoate

InChI: InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

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 N/A
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 2
Hydrogen Bond Donor Count 0
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.28
Topological Polar Surface Area 43.37
Polarizability 16.33
Ring Count 0
Rotatable Bond Count 6

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95% <10 Days 607-97-6 $162.27$162.27
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95% <6 Days 607-97-6 $5.75-$126.50$5.75$10.35$31.05$126.50
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