960371-48-6
CYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(3-PYRIDAZINYL), METHYL ESTER
NameCYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(3-PYRIDAZINYL), METHYL ESTER
1Identification
【Name】
CYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(3-PYRIDAZINYL), METHYL ESTER
【CAS】
【MDL】
MFCD17018652
【English Synonyms】
【Formula】
C12 H14 N2 O3
【MolWeight】
234.254
【Inchi】
InChI=1S/C12H14N2O3/c1-17-11(16)12(6-4-9(15)5-7-12)10-3-2-8-13-14-10/h2-3,8H,4-7H2,1H3
【InChIKey】
InChIKey=QOUXRYXLQWOSSN-UHFFFAOYSA-N
【SMILES】
COC(=O)C1(CCC(=O)CC1)c2cccnn2
【MOL File】
CYCLOHEXANECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(3-PYRIDAZINYL), METHYL ESTER.cml