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1008526-70-2 | 1-Azetidinecarboxylic acid, 3-hydroxy-3-(nitromethyl)-, 1,1-dimethylethyl ester
CAS No: 1008526-70-2 Catalog No: AG000309 MDL No:MFCD17015985
Product Description
Catalog Number:
AG000309
Chemical Name:
1-Azetidinecarboxylic acid, 3-hydroxy-3-(nitromethyl)-, 1,1-dimethylethyl ester
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
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
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