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2-hydroxy-6-oxocyclohex-1-ene-1-carbonitrile

2-hydroxy-6-oxocyclohex-1-ene-1-carbonitrile

CAS: 42038-85-7

Formula: C7H7NO2

SMILES: OC1=C(C#N)C(=O)CCC1

IUPAC: 2-hydroxy-6-oxocyclohex-1-ene-1-carbonitrile

InChI: InChI=1S/C7H7NO2/c8-4-5-6(9)2-1-3-7(5)10/h9H,1-3H2

Composition: C (61.31%), H (5.15%), N (10.21%), O (23.33%)

Molar Mass: 137.138

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 137.047678469
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CMTQECAEHQWKLH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.44
Topological Polar Surface Area 61.09
Polarizability 13.23
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 42038-85-7 $363.80-$1,092.50$363.80$363.80$591.04$591.04$1,092.50$1,092.50
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