Name: 3-cyano-2-oxo-8-chromenyloxyacetic acid
SMILES:
N#CC1=Cc2cccc(OC(=O)C(=O)O)c2OC1Molecular Processing
Molecular formula
C12H7NO5
Molecular weight
245.19
Exact mass
245.0324
XLogP
0.98
TPSA
96.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
58.8
Supplementary Information
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