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oct-3-ynoic acid

oct-3-ynoic acid

Formula: C8H12O2

SMILES: CCCCC#CCC(O)=O

IUPAC: oct-3-ynoic acid

InChI: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-4,7H2,1H3,(H,9,10)

Composition: C (68.55%), H (8.63%), O (22.83%)

Molar Mass: 140.182

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 140.083729626
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DUBHCNKFZKBAIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.64
Topological Polar Surface Area 37.3
Polarizability 14.89
Ring Count 0
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C8H12O2 $164.56-$596.53$164.56$246.84$596.53
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98% <10 Days C8H12O2 Quote Only
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