Nom: trans-vitamin A acid
SMILES:
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1Molecular Processing
Molecular formula
C20H28O2
Molecular weight
300.44
Exact mass
300.2089
XLogP
5.6
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
93.76
Supplementary Information
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