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Home > Nitro Compounds > 86817-41-6
86817-41-6 | Phenol, 2-(2-hydroxyethoxy)-5-nitro-
CAS No: 86817-41-6 Catalog No: AG004MHX MDL No:
Product Description
Catalog Number:
AG004MHX
Chemical Name:
Phenol, 2-(2-hydroxyethoxy)-5-nitro-
CAS Number:
86817-41-6
Molecular Formula:
C8H9NO5
Molecular Weight:
199.1608
IUPAC Name:
2-(2-hydroxyethoxy)-5-nitrophenol
InChI:
InChI=1S/C8H9NO5/c10-3-4-14-8-2-1-6(9(12)13)5-7(8)11/h1-2,5,10-11H,3-4H2
InChI Key:
BKNKIIINVYRDLC-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1O)[N+](=O)[O-]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.162g/mol
Monoisotopic Mass:
199.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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