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Home > Nitro Compounds > 304675-72-7
304675-72-7 | Phenol, 2-methoxy-4-nitro-, potassium salt, hydrate (1:1:1)
CAS No: 304675-72-7 Catalog No: AG003084 MDL No:MFCD00013455
Product Description
Catalog Number:
AG003084
Chemical Name:
Phenol, 2-methoxy-4-nitro-, potassium salt, hydrate (1:1:1)
CAS Number:
304675-72-7
Molecular Formula:
C7H9KNO5
Molecular Weight:
226.2484
MDL Number:
MFCD00013455
IUPAC Name:
potassium;2-methoxy-4-nitrophenolate;hydrate
InChI:
InChI=1S/C7H7NO4.K.H2O/c1-12-7-4-5(8(10)11)2-3-6(7)9;;/h2-4,9H,1H3;;1H2/q;+1;/p-1
InChI Key:
QRUUWTYJYZUMTO-UHFFFAOYSA-M
SMILES:
COc1cc(ccc1O)[N+](=O)[O-].O.[K]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.241g/mol
Monoisotopic Mass:
225.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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