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3-(Methoxycarbonyl)-5-nitro-1H-pyrrole

3-(Methoxycarbonyl)-5-nitro-1H-pyrrole structure

CAS No:
32116-27-1
Formula:
C6H6N2O4
Chemical Name:
3-(Methoxycarbonyl)-5-nitro-1H-pyrrole
Synonyms:
3-(Methoxycarbonyl)-5-nitro-1H-pyrrole;Methyl 5-nitro-1H-pyrrole-3-carboxylate;4-(Methoxycarbonyl)-2-nitro-1H-pyrrole;1H-Pyrrole-3-carboxylic acid, 5-nitro-, methyl ester

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3-(Methoxycarbonyl)-5-nitro-1H-pyrrole Basic Attributes

Molecular Weight：

170.12

Exact Mass：

170.03275668

DSSTox ID：

DTXSID70660695

Characteristics

Density：

1.447±0.06 g/cm3

Melting Point：

204 °C

Boiling Point：

393.9±22.0 °C(Predicted)

PKA：

12.08±0.50

Computed Properties

Molecular Weight:170.12
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.03275668
Monoisotopic Mass:170.03275668
Topological Polar Surface Area:87.9
Heavy Atom Count:12
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Methoxycarbonyl)-5-nitro-1H-pyrrole

Basic Attributes
Characteristics
Computed Properties

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