Home Nitro Compounds 1008526-70-2
1008526-70-2,MFCD17015985
Catalog No.:AA0002XH
1008526-70-2 | 1-Boc-3-hydroxy-3-(nitromethyl)azetidine
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Purity
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Price(USD)
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1g
95%
in stock  
$43.00   $30.00
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5g
95%
in stock  
$120.00   $84.00
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Technical Information
Catalog Number:
AA0002XH
Chemical Name:
1-Boc-3-hydroxy-3-(nitromethyl)azetidine
CAS Number:
1008526-70-2
Molecular Formula:
C9H16N2O5
Molecular Weight:
232.2337
MDL Number:
MFCD17015985
IUPAC Name:
tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H16N2O5/c1-8(2,3)16-7(12)10-4-9(13,5-10)6-11(14)15/h13H,4-6H2,1-3H3
InChI Key:
DUYWGUJDIRKARQ-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(O)C[N+](=O)[O-])OC(C)(C)C
Properties
Computed Properties
 
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.236g/mol
Monoisotopic Mass:
232.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
1008526-70-2 
tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate 
FCH1622182 
PB27073 
AK165419 
AS-33616 
OR317174 
CS-0035800 
C-8825 
3-Hydroxy-3-(nitromethyl)azetidine-1-carboxylic acid tert-butyl ester 
1-Azetidinecarboxylic acid, 3-hydroxy-3-(nitromethyl)-, 1,1-dimethylethyl ester 
1-BOC-3-HYDROXY-3-(NITROMETHYL)AZETIDINE 
SCHEMBL3119841 
DTXSID20725586 
DUYWGUJDIRKARQ-UHFFFAOYSA-N 
KS-000003HH 
MFCD17015985 
ZINC72267052 
AKOS024438311 
Literature
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