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Home > Nitro Compounds > 71205-49-7
71205-49-7 | 1,3,5-trinitro-2,4,6-tripropoxybenzene
CAS No: 71205-49-7 Catalog No: AG005KCE MDL No:
Product Description
Catalog Number:
AG005KCE
Chemical Name:
1,3,5-trinitro-2,4,6-tripropoxybenzene
CAS Number:
71205-49-7
Molecular Formula:
C15H21N3O9
Molecular Weight:
387.3419
IUPAC Name:
1-(hydroxymethyl)-4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
InChI:
InChI=1S/C8H16N2O3/c1-8(2)4-10(5-11)7(12)9-6(8)13-3/h6,11H,4-5H2,1-3H3,(H,9,12)
InChI Key:
IFSGUMNVZNTKSD-UHFFFAOYSA-N
SMILES:
CCCOc1c([N+](=O)[O-])c(OCCC)c(c(c1[N+](=O)[O-])OCCC)[N+](=O)[O-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.227g/mol
Monoisotopic Mass:
188.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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