Potassium phthalate monobasic

CAT: 0127-OR921972Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR921972Size:1 Each

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CAS Number

877-24-7

MDL Number

MFCD00013070

Purity

=95%

Smiles

[K+].OC(=O)c1ccccc1C(=O)[O-]

Additionnal Information

Acidimetric standard

Chemical Information

Potassium hydrogen phthalate

CAS Number	877-24-7
PubChem CID	23676735
IUPAC Name	potassium 2-carboxybenzoate
Molecular Formula	C8H5KO4
Molecular Weight	204.22
Topological Polar Surface Area	77.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	204

SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+]

InChI

InChI=1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1

InChIKey

IWZKICVEHNUQTL-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 877-24-7

CID: 23676735

Formula: C8H5KO4

MW: 204.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.22
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	203.98249012
Monoisotopic Mass	203.98249012
Topological Polar Surface Area	77.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP19887	Potassium phosphate monobasic
IN11663-01	Calcium Phosphate Monobasic Monohydrate
IN13151	Calcium Phthalate
BUP19902	Dimethyl phthalate
BUP17640	Monobenzyl phthalate
BUP17288-01	Dibutyl phthalate
OR1012968-01	Dinonyl Phthalate
OR1013910-01	Monohexyl Phthalate
OR1012823-01	Dibenzyl Phthalate
BUP06849	Diethyl phthalate

Catalog	Name
sc-203363B	Potassium phthalate monobasic
P4825-01	Potassium Citrate, Monobasic
GC105003-500g	Potassium Phosphate Monobasic
sc-203211	Potassium Phosphate, Monobasic
TRC-P698710-250G	Potassium Citrate Monobasic