COc1ccc2c(c1)C(=O)C(CC=O)C2
Name: 2-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
SMILES: COc1ccc2c(c1)C(=O)C(CC=O)C2

Molecular Processing

Molecular formula
C12H12O3
Molecular weight
204.22
Exact mass
204.0786
XLogP
1.64
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.2

Supplementary Information

InChIKey: RJSZYANPFXDFAO-UHFFFAOYSA-N
Synonyme
SCHEMBL8598724RJSZYANPFXDFAO-UHFFFAOYSA-N(RS)-2-(2-oxoethyl)-6-methoxy-1-indanone(RS)-6-methoxy-2-(2-oxoethyl)-1-indanone
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