COCC(=CC1=CC(=C(C2=C1C=CCO2)OC)OC)C#N
Nombre: 3-(7,8-dimethoxy-2H-chromen-5-yl)-2-(methoxymethyl)prop-2-enenitrile
SMILES: COCC(=CC1=CC(=C(C2=C1C=CCO2)OC)OC)C#N

Molecular Processing

Molecular formula
C16H17NO4
Molecular weight
287.31
Exact mass
287.1158
XLogP
2.66
TPSA
60.71
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
79.54

Supplementary Information

InChIKey: UUVGOTJBHRZFFI-UHFFFAOYSA-N
Sinónimos
SCHEMBL10614571UUVGOTJBHRZFFI-UHFFFAOYSA-N3-(7,8-Dimethoxy-2H-1-benzopyran-5-yl)-2-methoxymethylpropenenitrile
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