COC(=O)CC(c1cccc(O)c1)C1CC1
이름: methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
SMILES: COC(=O)CC(c1cccc(O)c1)C1CC1

Molecular Processing

Molecular formula
C13H16O3
Molecular weight
220.27
Exact mass
220.1099
XLogP
2.45
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
60.2

Supplementary Information

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