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Home > Nitro Compounds > 1194-36-1
1194-36-1 | 1,3-Dioxane, 5-methyl-5-nitro-
CAS No: 1194-36-1 Catalog No: AG000IOQ MDL No:
Product Description
Catalog Number:
AG000IOQ
Chemical Name:
1,3-Dioxane, 5-methyl-5-nitro-
CAS Number:
1194-36-1
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
IUPAC Name:
5-methyl-5-nitro-1,3-dioxane
InChI:
InChI=1S/C5H9NO4/c1-5(6(7)8)2-9-4-10-3-5/h2-4H2,1H3
InChI Key:
AENNTASTLOXXMY-UHFFFAOYSA-N
SMILES:
CC1(COCOC1)[N+](=O)[O-]
NSC Number:
50313
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.13g/mol
Monoisotopic Mass:
147.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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