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2-(2-methoxy-2-oxoethyl)-4-nitrobenzoicacid

2-(2-methoxy-2-oxoethyl)-4-nitrobenzoicacid structure

CAS No:
62252-24-8
Formula:
C10H9NO6
Chemical Name:
2-(2-methoxy-2-oxoethyl)-4-nitrobenzoicacid
Synonyms:
2-(2-methoxy-2-oxoethyl)-4-nitrobenzoic acid;Benzeneacetic acid, 2-carboxy-4-nitro-, 1-methyl ester;2-(2-Methoxy-2-oxoethyl)-5-nitrobenzoic acid

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2-(2-methoxy-2-oxoethyl)-4-nitrobenzoicacid Basic Attributes

Molecular Weight：

239.18

Exact Mass：

239.04298701

Characteristics

PSA：

109.42000

XLogP3：

1.53170

Density：

1.435±0.06 g/cm3

Melting Point：

158 °C

Boiling Point：

407.3±35.0 °C(Predicted)

PKA：

3.04±0.22

Computed Properties

Molecular Weight:239.18
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:239.04298701
Monoisotopic Mass:239.04298701
Topological Polar Surface Area:109
Heavy Atom Count:17
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-methoxy-2-oxoethyl)-4-nitrobenzoicacid

Basic Attributes
Characteristics
Computed Properties

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