이름: rac-6-acetyloxy-2-ethynyl3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran
SMILES:
C#CC1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1Molecular Processing
Molecular formula
C17H20O3
Molecular weight
272.34
Exact mass
272.1412
XLogP
3.25
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
78.15
Supplementary Information
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