C#Cc1ccc2c(c1)C(C)(C)CC(C)(C)O2
名称: 2,2,4,4-tetramethyl-6-ethynylchroman
SMILES: C#Cc1ccc2c(c1)C(C)(C)CC(C)(C)O2

Molecular Processing

Molecular formula
C15H18O
Molecular weight
214.31
Exact mass
214.1358
XLogP
3.51
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
66.73

Supplementary Information

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