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1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI)

1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI) structure

CAS No:
143228-42-6
Formula:
C7H5NO3
Chemical Name:
1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI)
Synonyms:
1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI);3-IMino-6-oxo-1,4-cyclohexadiene-1-carboxylic Acid;5-AMinosalicylic Acid-quinoneiMine

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1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI) Basic Attributes

Molecular Weight：

151.1195

Exact Mass：

151.02700

DSSTox ID：

DTXSID90577574

Characteristics

PSA：

78.22000

XLogP3：

0.25580

Density：

1.43±0.1 g/cm3(Predicted)

Boiling Point：

337.7±42.0 °C(Predicted)

1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI) Use and Manufacturing

The oxidation product of the anti-inflammatory agent Mesalazine (M258100).

Computed Properties

Molecular Weight:151.12
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:151.026943022
Monoisotopic Mass:151.026943022
Topological Polar Surface Area:78.2
Heavy Atom Count:11
Complexity:299
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI)

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

1,4-Cyclohexadiene-1-carboxylicacid,3-imino-6-oxo-(9CI)

SDS

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