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2-Nitrophenol Sodium Salt

CAT: 0127-OR1030283-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030283-01Size:25 g
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CAS Number
824-39-5
Synonyms
Sodium;2-nitrophenolate
Purity
98%
Smiles
C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]

Chemical Information

Sodium 2-nitrophenolate
CAS Number824-39-5
PubChem CID69985
IUPAC Namesodium 2-nitrophenolate
Molecular FormulaC6H4NNaO3
Molecular Weight161.09
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity131
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]
InChI
InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1
InChIKey
AXKBOWBNOCUNJL-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 2-nitrophenolate
CAS: 824-39-5
CID: 69985
Formula: C6H4NNaO3
MW: 161.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.09
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass161.00888727
Monoisotopic Mass161.00888727
Topological Polar Surface Area68.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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