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Home > Nitro Compounds > 78822-23-8
78822-23-8 | Carbonic acid, 1-[2-(acetyloxy)-4-oxo-3-azetidinyl]ethyl(4-nitrophenyl)methyl ester
CAS No: 78822-23-8 Catalog No: AG005PH1 MDL No:
Product Description
Catalog Number:
AG005PH1
Chemical Name:
Carbonic acid, 1-[2-(acetyloxy)-4-oxo-3-azetidinyl]ethyl(4-nitrophenyl)methyl ester
CAS Number:
78822-23-8
Molecular Formula:
C15H15N2O8-
Molecular Weight:
351.2882
IUPAC Name:
[2-(2-acetyloxy-4-oxoazetidin-3-yl)-1-(4-nitrophenyl)propyl] carbonate
InChI:
InChI=1S/C15H16N2O8/c1-7(11-13(19)16-14(11)24-8(2)18)12(25-15(20)21)9-3-5-10(6-4-9)17(22)23/h3-7,11-12,14H,1-2H3,(H,16,19)(H,20,21)/p-1
InChI Key:
RJCRGLFIQUVMLY-UHFFFAOYSA-M
SMILES:
[O-]C(=O)OC(C(C1C(=O)NC1OC(=O)C)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.083g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.291g/mol
Monoisotopic Mass:
351.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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