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2-ethynylcyclohexan-1-ol

2-ethynylcyclohexan-1-ol

CAS: 5877-41-8

Formula: C8H12O

SMILES: OC1CCCCC1C#C

IUPAC: 2-ethynylcyclohexan-1-ol

InChI: InChI=1/C8H12O/c1-2-7-5-3-4-6-8(7)9/h1,7-9H,3-6H2

Composition: C (77.38%), H (9.74%), O (12.88%)

Molar Mass: 124.183

Atom Count: 21

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 124.088815006
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KNVOCSQDAIHOPP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.81
Topological Polar Surface Area 20.23
Polarizability 14.26
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 5877-41-8 $178.25-$1,147.70$178.25$227.70$342.70$457.70$687.70$1,147.70
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