potassium 2-(4-nitrophenyl)acetate

C8H6KNO4 — CID 15261201

IUPACpotassium 2-(4-nitrophenyl)acetate
SMILESO=C([O-])Cc1ccc([N+](=O)[O-])cc1.[K+]
InChIInChI=1S/C8H7NO4.K/c10-8(11)5-6-1-3-7(4-2-6)9(12)13;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKeyIOLTUIUBDJPQHF-UHFFFAOYSA-M
MW219.24 g/mol
LogP-3.11
Rot. Bonds3

About potassium 2-(4-nitrophenyl)acetate

potassium 2-(4-nitrophenyl)acetate (PubChem CID 15261201) has the molecular formula C8H6KNO4 and a molecular weight of 219.24 g/mol. Its IUPAC name is potassium 2-(4-nitrophenyl)acetate.

Molecular Properties

Compound Namepotassium 2-(4-nitrophenyl)acetate
PubChem CID15261201
Molecular FormulaC8H6KNO4
Molecular Weight219.24 g/mol
Exact Mass218.99
IUPAC Namepotassium 2-(4-nitrophenyl)acetate
SMILESO=C([O-])Cc1ccc([N+](=O)[O-])cc1.[K+]
InChIInChI=1S/C8H7NO4.K/c10-8(11)5-6-1-3-7(4-2-6)9(12)13;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKeyIOLTUIUBDJPQHF-UHFFFAOYSA-M
XLogP-3.11
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-3.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

zinc;bis(2-(4-nitrophenyl)acetate);bis(propane-1,3-diamine)
CID 139087845
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
3-(4-nitrophenyl)propanoate
CID 6923582
4-(4-nitrophenyl)-3-oxobutanoic acid
CID 90710883
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium
CID 58164995
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
5-(4-nitrophenyl)-4-oxopentanoic acid
CID 54077225
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone
CID 112736898
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885

Frequently Asked Questions

What is the IUPAC name of potassium 2-(4-nitrophenyl)acetate?
The IUPAC name of potassium 2-(4-nitrophenyl)acetate (CID 15261201) is potassium 2-(4-nitrophenyl)acetate.
What is the SMILES notation for potassium 2-(4-nitrophenyl)acetate?
The canonical SMILES for potassium 2-(4-nitrophenyl)acetate is O=C([O-])Cc1ccc([N+](=O)[O-])cc1.[K+].
What is the InChIKey of potassium 2-(4-nitrophenyl)acetate?
The InChIKey is IOLTUIUBDJPQHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO4.K/c10-8(11)5-6-1-3-7(4-2-6)9(12)13;/h1-4H,5H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(4-nitrophenyl)acetate?
potassium 2-(4-nitrophenyl)acetate has a molecular weight of 219.24 g/mol, XLogP of -3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(4-nitrophenyl)acetate is sourced from PubChem (CID 15261201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).