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158380-48-4

158380-48-4 | 2H-Pyran, tetrahydro-2-[[(2E)-2-methyl-3-nitro-2-propen-1-yl]oxy]-

CAS No: 158380-48-4 Catalog No: AG001Q5J MDL No:

Product Description

Catalog Number:
AG001Q5J
Chemical Name:
2H-Pyran, tetrahydro-2-[[(2E)-2-methyl-3-nitro-2-propen-1-yl]oxy]-
CAS Number:
158380-48-4
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
IUPAC Name:
2-(2-methyl-3-nitroprop-2-enoxy)oxane
InChI:
InChI=1S/C9H15NO4/c1-8(6-10(11)12)7-14-9-4-2-3-5-13-9/h6,9H,2-5,7H2,1H3
InChI Key:
ZINSJUMOAGXXNP-UHFFFAOYSA-N
SMILES:
C/C(=C\[N+](=O)[O-])/COC1CCCCO1

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  

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