4-[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]benzoic acid

4-[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]benzoic acid

CAS: 2138157-80-7

Formula: C15H20O4

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

IUPAC: 4-[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]benzoic acid

InChI: InChI=1S/C15H20O4/c1-14(2,3)19-13(18)15(4,5)11-8-6-10(7-9-11)12(16)17/h6-9H,1-5H3,(H,16,17)

Composition: C (68.16%), H (7.63%), O (24.21%)

Molar Mass: 264.321

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.136159124
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CTWFWIJVFABQCE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.27
Topological Polar Surface Area	63.6
Polarizability	28.15
Ring Count	1
Rotatable Bond Count	5

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