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5-hydroxypent-2-ynoic acid

5-hydroxypent-2-ynoic acid

CAS: 54620-70-1

Formula: C5H6O3

SMILES: OCCC#CC(O)=O

IUPAC: 5-hydroxypent-2-ynoic acid

InChI: InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8/h6H,2,4H2,(H,7,8)

Composition: C (52.63%), H (5.30%), O (42.07%)

Molar Mass: 114.1

Atom Count: 14

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 114.031694053
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QEZWEEYWBFNZNO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.81
Topological Polar Surface Area 57.53
Polarizability 10.09
Ring Count 0
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 54620-70-1 $54.23-$1,181.84$54.23$107.53$323.51$562.87$1,181.84
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 54620-70-1 $51.35-$86.31$51.35$63.37$86.31
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