COc1c(C)c2c(c(O)c1CC=C(C)CBr)C(=O)OC2
Name: 6-(4-bromo-3-methyl-but-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one
SMILES: COc1c(C)c2c(c(O)c1CC=C(C)CBr)C(=O)OC2

Molecular Processing

Molecular formula
C15H17BrO4
Molecular weight
341.2
Exact mass
340.031
XLogP
3.26
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
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
0.4
Molar refractivity
79.77

Supplementary Information

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