名称: 1-[(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalen-2-yl]-phenyl-acetic acid methyl ester
SMILES:
COC(=O)CC1(C2CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)C=CC=CC1Molecular Processing
Molecular formula
C30H36O6
Molecular weight
492.61
Exact mass
492.2512
XLogP
5.68
TPSA
63.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
139.31
Supplementary Information
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