957258-38-7
3-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID
Name
3-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID
Formula
C10 H13 N3 O3
MolWeight
223.231
1Identification
【Name】
3-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06805568
【English Synonyms】
【Formula】
C10 H13 N3 O3
【MolWeight】
223.231
【Inchi】
InChI=1S/C10H13N3O3/c1-3-13-6(2)7(5-11-13)8-4-9(10(14)15)16-12-8/h5,9H,3-4H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=KOPFOJBRIDCQKG-UHFFFAOYSA-N
【SMILES】
CCn1c(c(cn1)C2=NOC(C2)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID.cml
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