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Home > Nitro Compounds > 138779-32-5
138779-32-5 | 2,4-Cyclohexadien-1-ol, 6-diazo-5-methyl-2,3,4-trinitro-
CAS No: 138779-32-5 Catalog No: AG0019JF MDL No:
Product Description
Catalog Number:
AG0019JF
Chemical Name:
2,4-Cyclohexadien-1-ol, 6-diazo-5-methyl-2,3,4-trinitro-
CAS Number:
138779-32-5
Molecular Formula:
C7H5N5O7
Molecular Weight:
271.1439
IUPAC Name:
6-diazo-5-methyl-2,3,4-trinitrocyclohexa-2,4-dien-1-ol
InChI:
InChI=1S/C7H5N5O7/c1-2-3(9-8)7(13)6(12(18)19)5(11(16)17)4(2)10(14)15/h7,13H,1H3
InChI Key:
YFEZKIXGIKGWDO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C(O)C(=C(C(=C1C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.145g/mol
Monoisotopic Mass:
271.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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