(1r,4s)-bicyclo[2.2.2]octane-2-carboxylic acid

(1r,4s)-bicyclo[2.2.2]octane-2-carboxylic acid

CAS: 37167-93-4

Formula: C9H14O2

SMILES: OC(=O)C1C[C@H]2CC[C@@H]1CC2

IUPAC: (1r,4s)-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)/t6-,7+,8?

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-DHBOJHSNNA-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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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	37167-93-4		$650.68-$1,025.19$650.68$1,025.19