Name: 5-formyl-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1Cc2ccc(C=O)cc2C1Molecular Processing
Molecular formula
C14H17NO3
Molecular weight
247.29
Exact mass
247.1208
XLogP
2.75
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.31
Supplementary Information
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