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Home > Nitro Compounds > 82391-02-4
82391-02-4 | 2H-Pyran, tetrahydro-2-methyl-2-(3-nitrophenoxy)-
CAS No: 82391-02-4 Catalog No: AG0052RC MDL No:
Product Description
Catalog Number:
AG0052RC
Chemical Name:
2H-Pyran, tetrahydro-2-methyl-2-(3-nitrophenoxy)-
CAS Number:
82391-02-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
2-methyl-2-(3-nitrophenoxy)oxane
InChI:
InChI=1S/C12H15NO4/c1-12(7-2-3-8-16-12)17-11-6-4-5-10(9-11)13(14)15/h4-6,9H,2-3,7-8H2,1H3
InChI Key:
OUPNLMOXBNOAHP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OC1(C)CCCCO1
Properties
Complexity:
278
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:
2.8
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