O=Cc1ccc2c(c1)OCO2
名称: piperonal
SMILES: O=Cc1ccc2c(c1)OCO2

Molecular Processing

Molecular formula
C8H6O3
Molecular weight
150.13
Exact mass
150.0317
XLogP
1.23
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
37.95

Supplementary Information

No supplementary data available

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