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2-amino-8-(4-nitrophenyl)-3,7-dihydropurin-6-one

2-amino-8-(4-nitrophenyl)-3,7-dihydropurin-6-one structure

CAS No:
14173-37-6
Formula:
C11H8N6O3
Chemical Name:
2-amino-8-(4-nitrophenyl)-3,7-dihydropurin-6-one

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2-amino-8-(4-nitrophenyl)-3,7-dihydropurin-6-one Basic Attributes

Molecular Weight：

272.22000

Exact Mass：

272.06578814

DSSTox ID：

DTXSID50161812

HScode：

2933990090

Characteristics

PSA：

147.26000

XLogP3：

1.66920

Density：

1.91g/cm3

Boiling Point：

672ºC

Flash Point：

359.1ºC

Refractive Index：

1.899

Vapor Pressure：

7.97E-18mmHg at 25°C

Computed Properties

Molecular Weight:272.22
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:272.06578814
Monoisotopic Mass:272.06578814
Topological Polar Surface Area:142
Heavy Atom Count:20
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-amino-8-(4-nitrophenyl)-3,7-dihydropurin-6-one

Basic Attributes
Characteristics
Computed Properties

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