Name: 6-hydroxy-7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid
SMILES:
CC(C)(C)c1cc2c(cc1O)OCC(C(=O)O)O2Molecular Processing
Molecular formula
C13H16O5
Molecular weight
252.27
Exact mass
252.0998
XLogP
1.91
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
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.35
Supplementary Information
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