CCOC(=O)C1=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=CC=C3
CAS: 850209-49-3
이름: ethyl 5-methoxy-3-oxo-1-phenylindene-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=CC=C3

Molecular Processing

Molecular formula
C19H16O4
Molecular weight
308.33
Exact mass
308.1049
XLogP
3.26
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
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
0.158
Molar refractivity
86.42

Supplementary Information

InChIKey: DBMSEVNERSOURI-UHFFFAOYSA-N
동의어
850209-49-3DTXSID40631539Ethyl 6-methoxy-1-oxo-3-phenyl-1H-indene-2-carboxylateRefChem:344572DTXCID60582291CHEMBL2135476-methoxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid ethyl esterSCHEMBL3572575DBMSEVNERSOURI-UHFFFAOYSA-NBDBM50191605
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