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methyl 1-cyanocyclopentane-1-carboxylate

methyl 1-cyanocyclopentane-1-carboxylate

CAS: 40862-12-2

Formula: C8H11NO2

SMILES: COC(=O)C1(CCCC1)C#N

IUPAC: methyl 1-cyanocyclopentane-1-carboxylate

InChI: InChI=1S/C8H11NO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-5H2,1H3

Composition: C (62.73%), H (7.24%), N (9.14%), O (20.89%)

Molar Mass: 153.181

Atom Count: 22

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 153.078978598
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HMAJNDDGAHBMQO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.21
Topological Polar Surface Area 50.09
Polarizability 15.38
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 40862-12-2 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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