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1-(4-NITROPHENYL)-CYCLOHEXANECARBOXYLICACID

1-(4-NITROPHENYL)-CYCLOHEXANECARBOXYLICACID structure

CAS No:
91958-27-9
Formula:
C13H15NO4
Chemical Name:
1-(4-NITROPHENYL)-CYCLOHEXANECARBOXYLICACID
Synonyms:
1-(4-NITROPHENYL)-CYCLOHEXANECARBOXYLIC ACID;1-(4-nitrophenyl)cyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 1-(4-nitrophenyl)-

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1-(4-NITROPHENYL)-CYCLOHEXANECARBOXYLICACID Basic Attributes

Molecular Weight：

249.26

Exact Mass：

249.10010796

Characteristics

Density：

1.290±0.06 g/cm3

Melting Point：

175-177 °C(Solv: ethanol (64-17-5))

Boiling Point：

434.0±38.0 °C(Predicted)

PKA：

4.03±0.20

Computed Properties

Molecular Weight:249.26
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:249.10010796
Monoisotopic Mass:249.10010796
Topological Polar Surface Area:83.1
Heavy Atom Count:18
Complexity:322
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-NITROPHENYL)-CYCLOHEXANECARBOXYLICACID

Basic Attributes
Characteristics
Computed Properties

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