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CAS Number: 87875-48-7
4-hydroxy-4-(nitromethyl)cyclohexanone

Structure

4-hydroxy-4-(nitromethyl)cyclohexanone
Name: 4-hydroxy-4-(nitromethyl)cyclohexanone
Synonyms:
General Information
Product Number: 87875487

CAS Registry Number 87875-48-7
Name:
Cyclohexanone, 4-?hydroxy-?4-?(nitromethyl)?-

 

Chemical Formula: C7H11NO4
Exact Mass: 173.07
Molecular Weight: 173.17
m/z: 173.07 (100.0%), 174.07 (8.1%)

 

InChI:InChI=1S/C7H11NO4/c9-6-1-3-7(10,4-2-6)5-8(11)12/h10H,1-5H2

InChI Key:XGETZEUSOSEUDY-UHFFFAOYSA-N

Canonical SMILES:C1CC(CCC1=O)(C[N+](=O)[O-])O

 

Thermal Properties Value Condition Note
Melting Point 124.5-125 °C   (1)CAS

Specification

98%

References

(1) Nightingale, Dorothy V.; Journal of Organic Chemistry 1952, V17, P1005-8 CAPLUS

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