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2-Nitrophenol Potassium Salt

CAT: 0572-TRC-N496915-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N496915-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
824-38-4
Synonyms
Potassium 2-nitrophenolate; Potassium 2-nitrophenoxide; Potassium o-nitrophenolate
Hazard Statement
No Data Available
Smiles
O=N(C1=C(O[K])C=CC=C1)=O
Molecular Formula
C6H4KNO3
Molecular Weight
177.2
InChI
InChI=1S/C6H5NO3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1
Additionnal Information
IUPAC name: potassium 2-nitrophenolate
Shipping Conditions
Room Temperature

Chemical Information

2-nitrophenol potassium salt

See also: 4-nitrophenol potassium salt (annotation moved to).

CAS Number824-38-4
PubChem CID10921058
IUPAC Namepotassium 2-nitrophenolate
Molecular FormulaC6H4KNO3
Molecular Weight177.20
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-].[K+]
InChI
InChI=1S/C6H5NO3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1
InChIKey
VMZBTPALYWVSGZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-nitrophenol potassium salt
CAS: 824-38-4
CID: 10921058
Formula: C6H4KNO3
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.20
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass176.98282447
Monoisotopic Mass176.98282447
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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