CCCCCCC1=C(C(=CC=C1)O)O
名称: 3-hexylbenzene-1,2-diol
SMILES: CCCCCCC1=C(C(=CC=C1)O)O

Molecular Processing

Molecular formula
C12H18O2
Molecular weight
194.27
Exact mass
194.1307
XLogP
3.22
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
57.62

Supplementary Information

InChIKey: DZEKIFGTPVVILG-UHFFFAOYSA-N
同義語
3-hexylcatecholn-hexylpyrocatecholSCHEMBL9739269SCHEMBL27395981DZEKIFGTPVVILG-UHFFFAOYSA-N
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