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5-oxohexanoic acid

5-oxohexanoic acid

CAS: 3128-06-1

Formula: C6H10O3

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

IUPAC: 5-oxohexanoic acid

InChI: InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

Composition: C (55.37%), H (7.75%), O (36.88%)

Molar Mass: 130.143

Atom Count: 19

Heavy Atom Count: 9

Properties
Properties
Common Names 5-keto-n-caproic acid; delta-ketocaproic acid; delta-oxocaproic acid
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 130.062994182
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.69
Topological Polar Surface Area 54.37
Polarizability 12.44
Ring Count 0
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
98% <14 Days 3128-06-1 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 3128-06-1 $14.95-$165.60$14.95$21.85$48.30$165.60
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 3128-06-1 $5.18-$674.82$5.18$11.39$18.63$42.44$141.80$674.82
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