이름: Methyl 3-[2-(2,3-epoxypropoxy)-4-methylbenzoyl]-propionate
SMILES:
COC(=O)CCC(=O)c1ccc(C)cc1OCC1CO1Molecular Processing
Molecular formula
C15H18O5
Molecular weight
278.3
Exact mass
278.1154
XLogP
1.91
TPSA
65.13
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
71.99
Supplementary Information
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