742120-03-2
2-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
Name2-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
1Identification
【Name】
2-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
【CAS】
【MDL】
MFCD05262047
【English Synonyms】
【Formula】
C13 H13 N O4
【MolWeight】
247.249
【Inchi】
InChI=1S/C13H13NO4/c1-8-11(9(2)18-14-8)7-17-12-6-4-3-5-10(12)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=YINROPPUXHDJPB-UHFFFAOYSA-N
【SMILES】
Cc1c(c(on1)C)COc2ccccc2C(=O)O
【MOL File】
2-[(3,5-DIMETHYLISOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID.cml