3-{[1,1'-biphenyl]-4-yl}prop-2-ynoic acid

3-{[1,1'-biphenyl]-4-yl}prop-2-ynoic acid

CAS: 32340-38-8

Formula: C15H10O2

SMILES: OC(=O)C#CC1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 3-{[1,1'-biphenyl]-4-yl}prop-2-ynoic acid

InChI: InChI=1S/C15H10O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,(H,16,17)

Composition: C (81.07%), H (4.54%), O (14.40%)

Molar Mass: 222.243

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	222.068079562
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MVYPVLFGHHYWMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.58
Topological Polar Surface Area	37.3
Polarizability	26.24
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	32340-38-8		$35.31-$234.55$35.31$54.22$88.27$234.55