이름: 4-(1,4-dioxaspiro[4.5]decan-8-yl)benzene-1,3-diol
SMILES:
C1CC2(CCC1C3=C(C=C(C=C3)O)O)OCCO2Molecular Processing
Molecular formula
C14H18O4
Molecular weight
250.29
Exact mass
250.1205
XLogP
2.5
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
65.62
Supplementary Information
InChIKey: IUAKULWBKVANKM-UHFFFAOYSA-N
동의어
SCHEMBL5363819IUAKULWBKVANKM-UHFFFAOYSA-N4-(1,4-dioxaspiro[4.5]dec-8yl)-1,3-benzenediol4-(1,4-Dioxaspiro[4.5]dec8-yl)-1, 3benzenediol4-(1,4-dioxaspiro[4.5]dec8-yl)-1,3-benzenediol4-(1,4-Dioxaspiro[4.5]dec8-yl)-1,3benzenediol4-(1,4-Dioxaspiro[4.5]dec-8-yl)-1,3-benzenediol
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