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Home > Nitro Compounds > 873692-35-4
873692-35-4 | 4H-Pyran-4-one, tetrahydro-3-[(1R)-2-nitro-1-phenylethyl]-, (3R)-
CAS No: 873692-35-4 Catalog No: AG004HFQ MDL No:
Product Description
Catalog Number:
AG004HFQ
Chemical Name:
4H-Pyran-4-one, tetrahydro-3-[(1R)-2-nitro-1-phenylethyl]-, (3R)-
CAS Number:
873692-35-4
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
(3R)-3-[(1R)-2-nitro-1-phenylethyl]oxan-4-one
InChI:
InChI=1S/C13H15NO4/c15-13-6-7-18-9-12(13)11(8-14(16)17)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m0/s1
InChI Key:
QSOOOANGPVEUJV-RYUDHWBXSA-N
SMILES:
[O-][N+](=O)C[C@H]([C@@H]1COCCC1=O)c1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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