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6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile

6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile structure

CAS No:
109018-38-4
Formula:
C12H13NO3
Chemical Name:
6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile
Synonyms:
NSC202187;6-(2,4-dihydroxy-phenyl)-6-oxo-hexanenitrile;NSC-202187;109018-38-4

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6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile Basic Attributes

Molecular Weight：

219.24 g/mol

Exact Mass：

219.08954328 g/mol

NSC Number：

202187

Characteristics

PSA：

81.3 Å²

XLogP3：

2.36448

Melting Point：

158 °C

Computed Properties

Molecular Weight:219.24
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:81.3
Heavy Atom Count:16
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile

Basic Attributes
Characteristics
Computed Properties

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