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5-hexylbenzene-1,3-diol

5-hexylbenzene-1,3-diol structure

CAS No:
5465-20-3
Formula:
C12H18O2
Chemical Name:
5-hexylbenzene-1,3-diol
Synonyms:
5-hexylbenzene-1,3-diol;1,3-Benzenediol, 5-hexyl-;5-hexyl-resorcinol;NSC28994;5-HEXYLRESORCINOL;1, 5-hexyl-;1-hexyl-3,5-dioxybenzene;5-hexyl-benzene-1,3-diol;1,3-Benzenediol,5-hexyl-;SCHEMBL70443
Categories:
Pharmaceutical Intermediates > Antipsychotics

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5-hexylbenzene-1,3-diol Basic Attributes

Molecular Weight：

194.274

Exact Mass：

194.131

NSC Number：

28994

DSSTox ID：

DTXSID00282965

Characteristics

PSA：

40.5

XLogP3：

4.2

Density：

1.049±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:194.27
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:194.130679813
Monoisotopic Mass:194.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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