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15968-02-2 | 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)
CAS No: 15968-02-2 Catalog No: AG001RAU MDL No:
Product Description
Catalog Number:
AG001RAU
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, potassium salt (1:2)
CAS Number:
15968-02-2
Molecular Formula:
C12H12K2O4
Molecular Weight:
298.4179
IUPAC Name:
dipotassium;5-tert-butylbenzene-1,3-dicarboxylate
InChI:
InChI=1S/C12H14O4.2K/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16;;/h4-6H,1-3H3,(H,13,14)(H,15,16);;/q;2*+1/p-2
InChI Key:
WSEOCKWZDYMTPH-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1cc(cc(c1)C(C)(C)C)C(=O)[O-].[K+].[K+]
EC Number:
240-107-1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.421g/mol
Monoisotopic Mass:
298.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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