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3-Amino-6-nitro-2H-1-benzopyran-2-one

3-Amino-6-nitro-2H-1-benzopyran-2-one structure

CAS No:
79892-85-6
Formula:
C9H6N2O4
Chemical Name:
3-Amino-6-nitro-2H-1-benzopyran-2-one
Synonyms:
3-Amino-6-nitro-2H-1-benzopyran-2-one;3-Amino-6-nitrocoumarin;2H-1-Benzopyran-2-one, 3-amino-6-nitro-

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3-Amino-6-nitro-2H-1-benzopyran-2-one Basic Attributes

Molecular Weight：

206.15

Exact Mass：

206.03275668 g/mol

NSC Number：

359702

DSSTox ID：

DTXSID50229946

Characteristics

PSA：

98.1 Å²

Density：

1.532±0.06 g/cm3

Melting Point：

202 °C(Solv: water (7732-18-5))

Boiling Point：

454.3±45.0 °C(Predicted)

PKA：

2.22±0.20

Computed Properties

Molecular Weight:206.15
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:206.03275668
Monoisotopic Mass:206.03275668
Topological Polar Surface Area:98.1
Heavy Atom Count:15
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Amino-6-nitro-2H-1-benzopyran-2-one

Basic Attributes
Characteristics
Computed Properties

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