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Home > Nitro Compounds > 2059912-13-7
2059912-13-7 | [(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanol
CAS No: 2059912-13-7 Catalog No: AG01BR80 MDL No:MFCD30502282
Product Description
Catalog Number:
AG01BR80
Chemical Name:
[(2R,4R)-4-(3-nitrophenyl)oxolan-2-yl]methanol
CAS Number:
2059912-13-7
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD30502282
IUPAC Name:
[4-(3-nitrophenyl)oxolan-2-yl]methanol
InChI:
InChI=1S/C11H13NO4/c13-6-11-5-9(7-16-11)8-2-1-3-10(4-8)12(14)15/h1-4,9,11,13H,5-7H2
InChI Key:
FZWYNPKHGULRLN-UHFFFAOYSA-N
SMILES:
OC[C@@H]1OC[C@H](C1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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