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

Molecular Processing

Molecular formula
C16H17ClO4
Molecular weight
308.76
Exact mass
308.0815
XLogP
3.3
TPSA
48.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
81.89

Supplementary Information

InChIKey: PSNYOXJUGRRCCE-UHFFFAOYSA-N
Sinónimos
SCHEMBL8809207PSNYOXJUGRRCCE-UHFFFAOYSA-N8-(3-chloropropoxy)-2,3-dihydro-7-methoxy-cyclopenta[c][1]benzopyran-4(1H)-one8-(3-chloropropoxy)-2,3-dihydro-7-methoxycyclopenta[c][1]benzopyran-4(1H)-one
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