COC(=O)C1=C(C=C(C=C1)OCC2CO2)O
Name: methyl 2-hydroxy-4-(oxiran-2-ylmethoxy)benzoate
SMILES: COC(=O)C1=C(C=C(C=C1)OCC2CO2)O

Molecular Processing

Molecular formula
C11H12O5
Molecular weight
224.21
Exact mass
224.0685
XLogP
0.96
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
54.68

Supplementary Information

InChIKey: KLNFGBVROWWWHM-UHFFFAOYSA-N
Synonyme
SCHEMBL4441810KLNFGBVROWWWHM-UHFFFAOYSA-N4-(2,3-epoxypropoxy)salicylic acid methyl ester
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