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5-nitropentan-2-one

5-nitropentan-2-one structure

CAS No:
22020-87-7
Formula:
C5H9NO3
Chemical Name:
5-nitropentan-2-one
Synonyms:
1-nitropentan-4-one; 5-NITRO-2-PENTANONE; 5-nitro-pentan-2-one; 1-Acetyl-3-nitropropane; 5-Nitro-pentan-2-on; 2-Pentanone,5-nitro; 1-Nitro-4-pentanone;Expand

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5-nitropentan-2-one Basic Attributes

Molecular Weight：

131.13000

Exact Mass：

131.058243149

DSSTox ID：

DTXSID40401653

HScode：

2914700090

Characteristics

PSA：

62.89000

XLogP3：

1.15550

Density：

1.084g/cm3

Boiling Point：

231.7ºC

Refractive Index：

1.43

Vapor Pressure：

0.0614mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:131.13
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:131.058243149
Monoisotopic Mass:131.058243149
Topological Polar Surface Area:62.9
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-nitropentan-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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