5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid

5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid

CAS: 157436-33-4

Formula: C12H14O5

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

IUPAC: 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylic acid

InChI: InChI=1S/C12H14O5/c1-12(2,3)6-4-7(10(14)15)9(13)8(5-6)11(16)17/h4-5,13H,1-3H3,(H,14,15)(H,16,17)

Composition: C (60.50%), H (5.92%), O (33.58%)

Molar Mass: 238.239

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.084123551
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	JPPQSYIWMHPAED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.22
Topological Polar Surface Area	94.83
Polarizability	22.96
Ring Count	1
Rotatable Bond Count	3

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90%	<2 Days	157436-33-4		$51.35-$86.31$51.35$63.37$86.31