COC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)O
名称: 8-hydroxy-7-methoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILES: COC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)O

Molecular Processing

Molecular formula
C13H12O4
Molecular weight
232.23
Exact mass
232.0736
XLogP
2
TPSA
59.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
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
0.308
Molar refractivity
62.73

Supplementary Information

InChIKey: UCXRPUCQICNZQB-UHFFFAOYSA-N
同義語
SCHEMBL8805983UCXRPUCQICNZQB-UHFFFAOYSA-N2,3-dihydro-8-hydroxy-7-methoxy-cyclopenta[c][1]benzopyran-4(1H)-one
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