1368893-06-4
4-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
Name4-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
4-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17014800
【English Synonyms】
【Formula】
C10 H9 N3 O3
【MolWeight】
219.199
【Inchi】
InChI=1S/C10H9N3O3/c1-12-8(9(14)15)11-13(10(12)16)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)
【InChIKey】
InChIKey=DSMSDGQRQMZQBI-UHFFFAOYSA-N
【SMILES】
Cn1c(nn(c1=O)c2ccccc2)C(=O)O
【MOL File】
4-METHYL-5-OXO-1-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID.cml