bicyclo[2.2.2]octane-2-carboxylic acid

bicyclo[2.2.2]octane-2-carboxylic acid

CAS: 29221-25-8

Formula: C9H14O2

SMILES: OC(=O)C1CC2CCC1CC2

IUPAC: bicyclo[2.2.2]octane-2-carboxylic acid

InChI: InChI=1/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11)

Composition: C (70.10%), H (9.15%), O (20.75%)

Molar Mass: 154.209

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	154.099379691
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PNKGHXVHKCJNBW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.14
Topological Polar Surface Area	37.3
Polarizability	16.37
Ring Count	2
Rotatable Bond Count	1

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97%	<7 Days	29221-25-8		$243.23-$386.06$243.23$386.06

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97%	<6 Days	29221-25-8		$227.70-$2,722.05$227.70$363.40$606.05$907.35$2,722.05

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97%	<5 Days	29221-25-8		$254.72-$3,137.37$254.72$406.04$698.59$1,046.63$3,137.37