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3,4-dihydroxy-5-nitrobenzonitrile

3,4-dihydroxy-5-nitrobenzonitrile structure

CAS No:
116313-86-1
Formula:
C7H4N2O4
Chemical Name:
3,4-dihydroxy-5-nitrobenzonitrile
Synonyms:
Benzonitrile,3,4-dihydroxy-5-nitro; 3,4-Dihydroxy-5-nitro-benzonitrile;

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3,4-dihydroxy-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

180.11800

Exact Mass：

180.01710661

DSSTox ID：

DTXSID20151346

Characteristics

PSA：

110.07000

XLogP3：

1.40088

Density：

1.69g/cm3

Boiling Point：

327.8ºC at 760 mmHg

Flash Point：

152.1ºC

Refractive Index：

1.683

Vapor Pressure：

0.000103mmHg at 25°C

Computed Properties

Molecular Weight:180.12
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:180.01710661
Monoisotopic Mass:180.01710661
Topological Polar Surface Area:110
Heavy Atom Count:13
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-dihydroxy-5-nitrobenzonitrile

Basic Attributes
Characteristics
Computed Properties

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