C1CC2C(CC1O)C(=O)C(=O)C2=O
名称: 5-hydroxy-3a,4,5,6,7,7a-hexahydroindene-1,2,3-trione
SMILES: C1CC2C(CC1O)C(=O)C(=O)C2=O

Molecular Processing

Molecular formula
C9H10O4
Molecular weight
182.17
Exact mass
182.0579
XLogP
-0.52
TPSA
71.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
41.86

Supplementary Information

InChIKey: PQEPXYWOJSJQML-UHFFFAOYSA-N
同義語
SCHEMBL8856692
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