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Home > Nitro Compounds > 13958-13-9
13958-13-9 | Phenol, 5-ethoxy-2-nitroso-
CAS No: 13958-13-9 Catalog No: AG001BB6 MDL No:
Product Description
Catalog Number:
AG001BB6
Chemical Name:
Phenol, 5-ethoxy-2-nitroso-
CAS Number:
13958-13-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
5-ethoxy-2-nitrosophenol
InChI:
InChI=1S/C8H9NO3/c1-2-12-6-3-4-7(9-11)8(10)5-6/h3-5,10H,2H2,1H3
InChI Key:
QKSUTIDGHCYZAO-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)O)N=O
NSC Number:
116727
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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