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Home > Nitro Compounds > 116329-96-5
116329-96-5 | 2,6-Naphthalenediol, 1,5-dinitroso-
CAS No: 116329-96-5 Catalog No: AG000C7C MDL No:
Product Description
Catalog Number:
AG000C7C
Chemical Name:
2,6-Naphthalenediol, 1,5-dinitroso-
CAS Number:
116329-96-5
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
1,5-dinitrosonaphthalene-2,6-diol
InChI:
InChI=1S/C10H6N2O4/c13-7-3-1-5-6(10(7)12-16)2-4-8(14)9(5)11-15/h1-4,13-14H
InChI Key:
ADHHXOCBWLXJEM-UHFFFAOYSA-N
SMILES:
O=Nc1c(O)ccc2c1ccc(c2N=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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