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4-Butylpyrocatechol

4-Butylpyrocatechol structure

CAS No:
2525-05-5
Formula:
C10H14O2
Chemical Name:
4-Butylpyrocatechol
Synonyms:
4-BUTYLPYROCATECHOL;4-Butylbenzene-1,2-diol;4-Butyl-1,2-benzenediol;CHEMBL1276242;1,2-dihydroxy-4-butylbenzene;5-butylcatechol;4-n-butylcatechol;1,2-Benzenediol,4-butyl-;SCHEMBL1052163;CTK4F5306
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Butylpyrocatechol Basic Attributes

Molecular Weight：

166.21700

Exact Mass：

166.09900

DSSTox ID：

DTXSID10559498

HScode：

2907299090

Characteristics

PSA：

40.46000

XLogP3：

Density：

1.092

Boiling Point：

300ºC

Flash Point：

144ºC

Computed Properties

Molecular Weight:166.22
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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