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304655-86-5 | 1-Naphthalenol, 2,4-dinitro-, sodium salt, hydrate (1:1:1)
CAS No: 304655-86-5 Catalog No: AG00307K MDL No:
Product Description
Catalog Number:
AG00307K
Chemical Name:
1-Naphthalenol, 2,4-dinitro-, sodium salt, hydrate (1:1:1)
CAS Number:
304655-86-5
Molecular Formula:
C10H8N2NaO6
Molecular Weight:
275.1701
IUPAC Name:
sodium;2,4-dinitronaphthalen-1-olate;hydrate
InChI:
InChI=1S/C10H6N2O5.Na.H2O/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;;/h1-5,13H;;1H2/q;+1;/p-1
InChI Key:
RLGNEISTZRRZND-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c2c1cccc2)O.O.[Na]
UNII:
Q3U4KK9S40
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.164g/mol
Monoisotopic Mass:
274.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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