이름: (S)-3-[1-(5-methoxy-3,4-methylenedioxyphenyl)methyl]butanolide
SMILES:
COc1cc(C[C@@H]2COC(=O)C2)cc2c1OCO2Molecular Processing
Molecular formula
C13H14O5
Molecular weight
250.25
Exact mass
250.0841
XLogP
1.53
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
61.89
Supplementary Information
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