Name: [4-(8-ethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl)phenyl]acetic acid methyl ester
SMILES:
CCc1cc(C#Cc2ccc(CC(=O)OC)cc2)cc2c1OC(C)(C)CC2(C)CMolecular Processing
Molecular formula
C26H30O3
Molecular weight
390.52
Exact mass
390.2195
XLogP
5.2
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
116.31
Supplementary Information
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