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Home > Nitro Compounds > 192725-55-6
192725-55-6 | Carbonic acid, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl 4-nitrophenyl ester
CAS No: 192725-55-6 Catalog No: AG002G9J MDL No:
Product Description
Catalog Number:
AG002G9J
Chemical Name:
Carbonic acid, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl 4-nitrophenyl ester
CAS Number:
192725-55-6
Molecular Formula:
C13H13NO7
Molecular Weight:
295.2448
IUPAC Name:
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrophenyl) carbonate
InChI:
InChI=1S/C13H13NO7/c15-13(20-9-3-1-8(2-4-9)14(16)17)21-11-7-19-12-10(11)5-6-18-12/h1-4,10-12H,5-7H2/t10-,11-,12+/m0/s1
InChI Key:
ULTSJNOQNKVDBM-SDDRHHMPSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])O[C@H]1CO[C@@H]2[C@H]1CCO2
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
295.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.247g/mol
Monoisotopic Mass:
295.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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