CCC1=CC2=C(C=C1)OC(CO2)C(=O)OCC
이름: ethyl 6-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate
SMILES: CCC1=CC2=C(C=C1)OC(CO2)C(=O)OCC

Molecular Processing

Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
1.95
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.36

Supplementary Information

InChIKey: OSORYGCAOADBEC-UHFFFAOYSA-N
동의어
SCHEMBL9255724OSORYGCAOADBEC-UHFFFAOYSA-NEthyl 6-ethyl-2,3-dihydro-1,4-benzodioxin-2-carboxylate
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