423729-45-7
2-[(5-METHYL-2-FUROYL)AMINO]BENZOIC ACID
Name2-[(5-METHYL-2-FUROYL)AMINO]BENZOIC ACID
1Identification
【Name】
2-[(5-METHYL-2-FUROYL)AMINO]BENZOIC ACID
【CAS】
【MDL】
MFCD00298104
【English Synonyms】
【Formula】
C13 H11 N O4
【MolWeight】
245.233
【Inchi】
InChI=1S/C13H11NO4/c1-8-6-7-11(18-8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=JWHIXBPRNNMOHQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(o1)C(=O)Nc2ccccc2C(=O)O
【MOL File】
2-[(5-METHYL-2-FUROY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(5-METHYL-2-FUROYL)AMINO]BENZOIC ACID.cml