3,5-di-tert-butyl-2-hydroxybenzoic acid

3,5-di-tert-butyl-2-hydroxybenzoic acid

CAS: 19715-19-6

Formula: C15H22O3

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

IUPAC: 3,5-di-tert-butyl-2-hydroxybenzoic acid

InChI: InChI=1S/C15H22O3/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

Composition: C (71.97%), H (8.86%), O (19.17%)

Molar Mass: 250.338

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.156894568
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZWQBZEFLFSFEOS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	72.63
Topological Polar Surface Area	57.53
Polarizability	27.83
Ring Count	1
Rotatable Bond Count	3

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