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1-ethynylcyclopropane-1-carboxylic acid

1-ethynylcyclopropane-1-carboxylic acid

CAS: 933755-97-6

Formula: C6H6O2

SMILES: OC(=O)C1(CC1)C#C

IUPAC: 1-ethynylcyclopropane-1-carboxylic acid

InChI: InChI=1S/C6H6O2/c1-2-6(3-4-6)5(7)8/h1H,3-4H2,(H,7,8)

Composition: C (65.45%), H (5.49%), O (29.06%)

Molar Mass: 110.112

Atom Count: 14

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 110.036779433
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XDVAOWPOJWYAHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.61
Topological Polar Surface Area 37.3
Polarizability 10.51
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 933755-97-6 $20.57-$1,321.16$20.57$44.88$162.69$760.16$1,321.16
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97% <5 Days 933755-97-6 $137.45-$567.45$137.45$220.68$366.95$567.45
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