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4-hydroxy-4-(nitromethyl)cyclohexanone

4-hydroxy-4-(nitromethyl)cyclohexanone structure

CAS No:
87875-48-7
Formula:
C7H11NO4
Chemical Name:
4-hydroxy-4-(nitromethyl)cyclohexanone
Synonyms:
4-hydroxy-4-(nitromethyl)cyclohexanone;Cyclohexanone, 4-hydroxy-4-(nitromethyl)-

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4-hydroxy-4-(nitromethyl)cyclohexanone Basic Attributes

Molecular Weight：

173.17

Exact Mass：

173.06880783

DSSTox ID：

DTXSID40527064

Characteristics

Density：

1.309±0.06 g/cm3

Melting Point：

124.5-125 °C

Boiling Point：

354.5±27.0 °C(Predicted)

PKA：

8.36±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:173.17
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:173.06880783
Monoisotopic Mass:173.06880783
Topological Polar Surface Area:83.1
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-hydroxy-4-(nitromethyl)cyclohexanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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