3-cyanobicyclo[1.1.1]pentane-1-carboxylic acid

3-cyanobicyclo[1.1.1]pentane-1-carboxylic acid

CAS: 83249-02-9

Formula: C7H7NO2

SMILES: OC(=O)C12CC(C1)(C2)C#N

IUPAC: 3-cyanobicyclo[1.1.1]pentane-1-carboxylic acid

InChI: InChI=1S/C7H7NO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-3H2,(H,9,10)

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	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MFBJJYLOKZSNPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.46
Topological Polar Surface Area	61.09
Polarizability	12.61
Ring Count	2
Rotatable Bond Count	1

Suppliers

Coreychem

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Purity	LeadTime	CAS		UnitPrice
97%	<10 Days	83249-02-9		Quote Only

Custom Synthesis. Higher purity available. Multi gram to multi kg

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	83249-02-9		$208.07-$2,572.44$208.07$332.90$572.49$857.48$2,572.44

LabNetwork INC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	83249-02-9		$296.43-$987.94$296.43$493.97$987.94