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Home > Nitro Compounds > 824966-88-3
824966-88-3 | 1,3-Cyclopentadiene, 1,2,3,4,5-pentanitro-
CAS No: 824966-88-3 Catalog No: AG00581S MDL No:
Product Description
Catalog Number:
AG00581S
Chemical Name:
1,3-Cyclopentadiene, 1,2,3,4,5-pentanitro-
CAS Number:
824966-88-3
Molecular Formula:
C5HN5O10
Molecular Weight:
291.0889
IUPAC Name:
1,2,3,4,5-pentanitrocyclopenta-1,3-diene
InChI:
InChI=1S/C5HN5O10/c11-6(12)1-2(7(13)14)4(9(17)18)5(10(19)20)3(1)8(15)16/h1H
InChI Key:
FYXRJKUPUNDXDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.972g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.088g/mol
Monoisotopic Mass:
290.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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