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Home > Nitro Compounds > 90920-71-1
90920-71-1 | 2-(Hydroxymethyl)-2-(N,2,4,6-tetranitroanilino)-1,3-propanediol trinitrate
CAS No: 90920-71-1 Catalog No: AG00H1NX MDL No:
Product Description
Catalog Number:
AG00H1NX
Chemical Name:
2-(Hydroxymethyl)-2-(N,2,4,6-tetranitroanilino)-1,3-propanediol trinitrate
CAS Number:
90920-71-1
IUPAC Name:
[3-nitrooxy-2-(nitrooxymethyl)-2-(N,2,4,6-tetranitroanilino)propyl] nitrate
InChI:
InChI=1S/C10H8N8O17/c19-12(20)6-1-7(13(21)22)9(8(2-6)14(23)24)11(15(25)26)10(3-33-16(27)28,4-34-17(29)30)5-35-18(31)32/h1-2H,3-5H2
InChI Key:
XPMZXJQRRQJPRI-UHFFFAOYSA-N
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.001g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.213g/mol
Monoisotopic Mass:
512.001g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
352A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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