Name: 7-hydroxy-6-tert-butyl-1,4-benzodioxin-2-carboxylic acid
SMILES:
CC(C)(C)c1cc2c(cc1O)OC(C(=O)O)=CO2Molecular Processing
Molecular formula
C13H14O5
Molecular weight
250.25
Exact mass
250.0841
XLogP
2.39
TPSA
75.99
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.78
Supplementary Information
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