C1COCCC1ON2C(=O)C3=CC=CC=C3C2=O
CAS: 169956-80-3
名称: 2-(oxan-4-yloxy)isoindole-1,3-dione
SMILES: C1COCCC1ON2C(=O)C3=CC=CC=C3C2=O

Molecular Processing

Molecular formula
C13H13NO4
Molecular weight
247.25
Exact mass
247.0845
XLogP
1.39
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.87

Supplementary Information

InChIKey: ZCNYODURKLEMDC-UHFFFAOYSA-N
同義語
SCHEMBL4863817SCHEMBL30137583ZCNYODURKLEMDC-UHFFFAOYSA-N169956-80-3DS-0221292-(tetrahydro-2H-pyran-4-yloxy)isoindoline-1,3-dione2-(tetrahydro-2H-pyran-4-yloxy)-1H-isoindole-1,3(2H)-dione2-(tetrahydro-2H-pyran-4-yloxy)-1H-isoindole-1,3(2H) -dione
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