Название: (1S,2R,4S)-7-oxabicyclo[2.2.1]-hept-5-ene-2-carboxylic acid
SMILES:
O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1O2Molecular Processing
Molecular formula
C7H8O3
Molecular weight
140.14
Exact mass
140.0473
XLogP
0.41
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
33.54
Supplementary Information
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