CC(C)CCCC(C)Oc1ccc(C(=O)O)cc1
الاسم: 4-(6-methylheptan-2-yloxy)benzoic acid
SMILES: CC(C)CCCC(C)Oc1ccc(C(=O)O)cc1

Molecular Processing

Molecular formula
C15H22O3
Molecular weight
250.34
Exact mass
250.1569
XLogP
3.98
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
72.18

Supplementary Information

InChIKey: GPMCCZYFNLUVGY-UHFFFAOYSA-N
مرادفات
SCHEMBL11570938GPMCCZYFNLUVGY-UHFFFAOYSA-Np-[(1,5-dimethylhexyl)oxy]benzoic acid
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