Name: (2R)-methyl 2-ethyl-7-hydroxychromane-2-carboxylate
SMILES:
CC[C@]1(C(=O)OC)CCc2ccc(O)cc2O1Molecular Processing
Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
2.04
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.09
Supplementary Information
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