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26112-07-2 | Benzoic acid, 4-hydroxy-, methyl ester, potassium salt (1:1)
CAS No: 26112-07-2 Catalog No: AG002RPN MDL No:
Product Description
Catalog Number:
AG002RPN
Chemical Name:
Benzoic acid, 4-hydroxy-, methyl ester, potassium salt (1:1)
CAS Number:
26112-07-2
Molecular Formula:
C8H8KO3
Molecular Weight:
191.2456
IUPAC Name:
potassium;4-methoxycarbonylphenolate
InChI:
InChI=1S/C8H8O3.K/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1
InChI Key:
MOCBTMXJPWSHOD-UHFFFAOYSA-M
SMILES:
COC(=O)c1ccc(cc1)O.[K]
EC Number:
247-464-2
UNII:
M64U971IB0
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.239g/mol
Monoisotopic Mass:
190.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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