名称: hexahydro-4,7-methano-iso-benzofuran-1(3H)-one
SMILES:
O=C1OCC2C3CCC(C3)C12Molecular Processing
Molecular formula
C9H12O2
Molecular weight
152.19
Exact mass
152.0837
XLogP
1.21
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
38.77
Supplementary Information
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