6-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

6-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

CAS: 610258-90-7

Formula: C13H16O4

SMILES: CC(C)(C)C1=CC2=C(OC(CO2)C(O)=O)C=C1

IUPAC: 6-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

InChI: InChI=1/C13H16O4/c1-13(2,3)8-4-5-9-10(6-8)16-7-11(17-9)12(14)15/h4-6,11H,7H2,1-3H3,(H,14,15)

Composition: C (66.09%), H (6.83%), O (27.09%)

Molar Mass: 236.267

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	236.104858995
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZOUUZKCPXBOBDO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.51
Topological Polar Surface Area	55.76
Polarizability	24.3
Ring Count	2
Rotatable Bond Count	2

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