4'-tert-butyl-[1,1'-biphenyl]-4-carboxylic acid

4'-tert-butyl-[1,1'-biphenyl]-4-carboxylic acid

CAS: 5748-42-5

Formula: C17H18O2

SMILES: CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4'-tert-butyl-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)

Composition: C (80.28%), H (7.13%), O (12.58%)

Molar Mass: 254.329

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.13067982
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HZIOPONJCVOCFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.12
Topological Polar Surface Area	37.3
Polarizability	30.95
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	5748-42-5		$30.26-$312.73$30.26$44.14$95.84$312.73