CCOC(=O)C1=C(C2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3
Nombre: ethyl 5-hydroxy-3-oxo-1-phenylindene-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3

Molecular Processing

Molecular formula
C18H14O4
Molecular weight
294.31
Exact mass
294.0892
XLogP
2.95
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
81.53

Supplementary Information

InChIKey: APEYDPVVLROXRX-UHFFFAOYSA-N
Sinónimos
SCHEMBL3570952APEYDPVVLROXRX-UHFFFAOYSA-N6-hydroxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid ethyl ester6-hydroxy-1-oxo-3-phenyl-1H-indene-2-carboxylate ethyl ester
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