3-{bicyclo[1.1.1]pentan-1-yl}prop-2-ynoic acid

3-{bicyclo[1.1.1]pentan-1-yl}prop-2-ynoic acid

Formula: C8H8O2

SMILES: OC(=O)C#CC12CC(C1)C2

IUPAC: 3-{bicyclo[1.1.1]pentan-1-yl}prop-2-ynoic acid

InChI: InChI=1S/C8H8O2/c9-7(10)1-2-8-3-6(4-8)5-8/h6H,3-5H2,(H,9,10)

Composition: C (70.58%), H (5.92%), O (23.50%)

Molar Mass: 136.15

Atom Count: 18

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	136.052429498
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RBGCLUJZBUKQQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.85
Topological Polar Surface Area	37.3
Polarizability	13.45
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H8O2		Quote Only