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1-(3-nitro-4-pentoxyphenyl)ethanone

1-(3-nitro-4-pentoxyphenyl)ethanone structure

CAS No:
134221-17-3
Formula:
C13H17NO4
Chemical Name:
1-(3-nitro-4-pentoxyphenyl)ethanone
Synonyms:
4-Amyloxy-3-nitroacetophenone; Ethanone,1-(3-nitro-4-(pentyloxy)phenyl);

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1-(3-nitro-4-pentoxyphenyl)ethanone Basic Attributes

Molecular Weight：

251.27800

Exact Mass：

251.11575802

DSSTox ID：

DTXSID10158602

Characteristics

PSA：

72.12000

XLogP3：

3.88960

Density：

1.127g/cm3

Boiling Point：

369ºC

Flash Point：

150.4ºC

Refractive Index：

1.522

Vapor Pressure：

1.23E-05mmHg at 25°C

Computed Properties

Molecular Weight:251.28
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:72.1
Heavy Atom Count:18
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-nitro-4-pentoxyphenyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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