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Home > Nitro Compounds > 119139-18-3
119139-18-3 | 2H-Pyran, tetrahydro-2-(4-methyl-3-nitrophenoxy)-
CAS No: 119139-18-3 Catalog No: AG000I8G MDL No:
Product Description
Catalog Number:
AG000I8G
Chemical Name:
2H-Pyran, tetrahydro-2-(4-methyl-3-nitrophenoxy)-
CAS Number:
119139-18-3
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
2-(4-methyl-3-nitrophenoxy)oxane
InChI:
InChI=1S/C12H15NO4/c1-9-5-6-10(8-11(9)13(14)15)17-12-4-2-3-7-16-12/h5-6,8,12H,2-4,7H2,1H3
InChI Key:
WQZUWDIDWUDELK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)OC1CCCCO1
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:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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