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Home > Nitro Compounds > 2059910-48-2
2059910-48-2 | [(2S,5R)-5-(3-nitrophenyl)oxan-2-yl]methanol
CAS No: 2059910-48-2 Catalog No: AG01BRBI MDL No:MFCD30502408
Product Description
Catalog Number:
AG01BRBI
Chemical Name:
[(2S,5R)-5-(3-nitrophenyl)oxan-2-yl]methanol
CAS Number:
2059910-48-2
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD30502408
IUPAC Name:
[5-(3-nitrophenyl)oxan-2-yl]methanol
InChI:
InChI=1S/C12H15NO4/c14-7-12-5-4-10(8-17-12)9-2-1-3-11(6-9)13(15)16/h1-3,6,10,12,14H,4-5,7-8H2
InChI Key:
RNVKFVYJLBCUDD-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CC[C@@H](CO1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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