Home Nitros 3-methyloxetan-3-yl 4-nitrophenyl carbonate

3-methyloxetan-3-yl 4-nitrophenyl carbonate

CAS No.:
1453272-56-4
Catalog Number:
AG01EIK1
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
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Product Description
Catalog Number:
AG01EIK1
Chemical Name:
3-methyloxetan-3-yl 4-nitrophenyl carbonate
CAS Number:
1453272-56-4
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
IUPAC Name:
(3-methyloxetan-3-yl) (4-nitrophenyl) carbonate
InChI:
InChI=1S/C11H11NO6/c1-11(6-16-7-11)18-10(13)17-9-4-2-8(3-5-9)12(14)15/h2-5H,6-7H2,1H3
InChI Key:
OKKWRFJBQOEVKS-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC1(C)COC1
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties