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Home > Nitro Compounds > 89357-23-3
89357-23-3 | 2H-Pyran-2-ol, tetrahydro-3-[(2-hydroxy-3,5-dinitrophenyl)methyl]-, cis-
CAS No: 89357-23-3 Catalog No: AG003XR1 MDL No:
Product Description
Catalog Number:
AG003XR1
Chemical Name:
2H-Pyran-2-ol, tetrahydro-3-[(2-hydroxy-3,5-dinitrophenyl)methyl]-, cis-
CAS Number:
89357-23-3
Molecular Formula:
C12H14N2O7
Molecular Weight:
298.2488
IUPAC Name:
3-[(2-hydroxy-3,5-dinitrophenyl)methyl]oxan-2-ol
InChI:
InChI=1S/C12H14N2O7/c15-11-8(4-7-2-1-3-21-12(7)16)5-9(13(17)18)6-10(11)14(19)20/h5-7,12,15-16H,1-4H2
InChI Key:
CWVCAVDDUOJWOF-UHFFFAOYSA-N
SMILES:
O[C@@H]1OCCC[C@@H]1Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.251g/mol
Monoisotopic Mass:
298.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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