Chemical Properties of 4-Methyl-2-phenyl-2H-1,2,3-triazole-5-carboxylic acid (CAS 22300-56-7)

4-Methyl-2-phenyl-2H-1,2,3-triazole-5-carboxylic acid

InChI
InChI=1S/C10H9N3O2/c1-7-9(10(14)15)12-13(11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
InChI Key
GQYQHAGPALBYDO-UHFFFAOYSA-N
Formula
C10H9N3O2
SMILES
Cc1nn(-c2ccccc2)nc1C(=O)O
Molecular Weight1
203.20
CAS
22300-56-7
Other Names
  • 4-Methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid
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Physical Properties

Property Value Unit Source
ω 0.7784 Relay (1.0) Calculated Property
ΔfG° 116.55 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -23.65 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 101.56 kJ/mol Relay (1.0) Calculated Property
IE 8.64 eV Relay (1.0) Calculated Property
log10WS -2.16 Relay (1.0) Calculated Property
logPoct/wat 1.274 Crippen Calculated Property
McVol 145.920 ml/mol McGowan Calculated Property
Pc 4702.21 kPa Relay (1.0-beta) Calculated Property
Tboil 614.79 K Relay (1.0) Calculated Property
Tc 923.24 K Relay (1.0) Calculated Property
Tfus 449.05 K Relay (1.0) Calculated Property
Vc 0.556 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Dipyrone. Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate. Mirtazapine-M (nor-) AC. Benazepril desethyl 3Me (Benazeprilate 3Me). 11-Ketoestradiol (enol), TMS. 5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. 2-O-acetyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer II. 2-O-acetyl-8,12-epoxygermacra-1(10),4,7,11-tetraene, isomer I. Sparsomycin (3,8mg/ml). Pimozide. Galathan, 1,2,3,12,15,16-hexadehydro-9,10-[methylenebis(oxy)]-. Poligodial + m-Tyr (ethyl ester) adduct (R,S). 3'-dihydrocinnamoylindicine. Mirtazapine. Cacotheline.

Find more compounds similar to 4-Methyl-2-phenyl-2H-1,2,3-triazole-5-carboxylic acid.

Sources

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