3-(benzyloxy)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(benzyloxy)bicyclo[1.1.1]pentane-1-carboxylic acid

CAS: 2166647-54-5

Formula: C13H14O3

SMILES: OC(=O)C12CC(C1)(C2)OCC1=CC=CC=C1

IUPAC: 3-(benzyloxy)bicyclo[1.1.1]pentane-1-carboxylic acid

InChI: InChI=1S/C13H14O3/c14-11(15)12-7-13(8-12,9-12)16-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)

Composition: C (71.54%), H (6.47%), O (21.99%)

Molar Mass: 218.252

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.094294311
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YZJLRKQUFWLAMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.34
Topological Polar Surface Area	46.53
Polarizability	22.97
Ring Count	3
Rotatable Bond Count	4

Suppliers

Coreychem

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
97%	<10 Days	2166647-54-5		Quote Only

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

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2166647-54-5		$583.84-$6,990.98$583.84$933.14$1,553.55$2,330.33$6,990.98