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Home > Nitro Compounds > 609-99-4
609-99-4 | 3,5-Dinitrosalicylic Acid
CAS No: 609-99-4 Catalog No: AG0033JS MDL No:MFCD00007104
Product Description
Catalog Number:
AG0033JS
Chemical Name:
3,5-Dinitrosalicylic Acid
CAS Number:
609-99-4
Molecular Formula:
C7H4N2O7
Molecular Weight:
228.1159
MDL Number:
MFCD00007104
IUPAC Name:
2-hydroxy-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChI Key:
LWFUFLREGJMOIZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])O
EC Number:
210-204-3
NSC Number:
181
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.116g/mol
Monoisotopic Mass:
228.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
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