이름: 1-methoxycarbonylmethoxy-5-oxo-5,6,7,8-tetrahydronaphthalene
SMILES:
COC(=O)COc1cccc2c1CCCC2=OMolecular Processing
Molecular formula
C13H14O4
Molecular weight
234.25
Exact mass
234.0892
XLogP
1.76
TPSA
52.6
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
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.22
Supplementary Information
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