Detail of compound @ czechem

Molecular Formula: C₈H₈O₂

Molecular weight: 136.14792

InChi: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)

InChi Key: LPNBBFKOUUSUDB-UHFFFAOYSA-N

SMILES: c1(C(=O)O)ccc(cc1)C

Chemical Name
4-methyl-benzoic acid
p-Me-benzoic acid
p-methyl benzoic acid
p-toluenecarboxylic acid
p-toluic acid
p-toluylic acid
para-toluic acid

External Links
PubChem

Authors of compound

Kulhanek, Jiri
Pytela, Oldrich
Ludwig, Miroslav
Prusek, Ondrej
Budesinsky, Milos
Parik, Patrik
Lycka, Antonin
Boehm, Stanislav
Exner, Otto
Vecera, Miroslav
Riha, Vaclav
Cigler, Petr
Baron, Vaclav
Kalfus, Karel

Articles

Kulhanek, Jiri; Pytela, Oldrich; Ludwig, Miroslav; Riha, Vaclav, CHEMOMETRICAL ANALYSIS OF SUBSTITUENT EFFECTS. III. ADDITIVITY OF SUBSTITUENT EFFECTS IN DISSOCIATION OF 3,4-DISUBSTITUTED BENZOIC ACIDS IN ORGANIC SOLVENTS. Collect. Czech. Chem. Commun. 1994, 59(3), 627 - 638, 10.1135/cccc19940627

Kulhanek, Jiri; Ludwig, Miroslav; Parik, Patrik, A STUDY OF TRANSMISSION EFFECTS OF SULFONYL AND CARBONYL GROUPS. Collect. Czech. Chem. Commun. 1995, 60(5), 841 - 850, 10.1135/cccc19950841

Kulhanek, Jiri; Pytela, Oldrich; Lycka, Antonin, Chemometrical analysis of substituent effects. XIII. Comparison of substituent effects on dissociation and chemical shift in C NMR spectra of mono- and disubstituted benzoic acids. Collect. Czech. Chem. Commun. 2000, 65(1), 106 - 116.

Kulhanek, Jiri; Budesinsky, Milos; Boehm, Stanislav; Exner, Otto; Cigler, Petr, C and H nuclear magnetic resonance of methyl-substituted acetophenones and methyl benzoates: Steric hindrance and inhibited conjugation. Magn. Reson. Chem. 2004, 42(10), 844 - 851, 10.1002/mrc.1414

Pytela, Oldrich; Ludwig, Miroslav; Vecera, Miroslav; Baron, Vaclav; Kalfus, Karel, DISSOCIATION CONSTANTS OF SUBSTITUTED BENZOIC ACIDS IN WATER AND IN ORGANIC SOLVENTS. Collect. Czech. Chem. Commun. 1986, 51(10), 2135 - 2142.

Pytela, Oldrich; Prusek, Ondrej, Chemometric analysis of substituent effects. XII. Application of relationship between 2- and 4-substitution of benzene ring to study ortho effect in selected compounds with different reaction centres. Collect. Czech. Chem. Commun. 1999, 64(1), 1617 - 1628.