이름: 2,2-dimethyl-benzo[1,3]dioxole-5-carbaldehyde
SMILES:
CC1(C)Oc2ccc(C=O)cc2O1Molecular Processing
Molecular formula
C10H10O3
Molecular weight
178.19
Exact mass
178.063
XLogP
2.01
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
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
0.3
Molar refractivity
47.16
Supplementary Information
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