856255-22-6
2-(1,4,7-TETRAOXA-13-AZACYCLOPENTADEC-13-YLCARBONYL)-BENZOIC ACID
Name2-(1,4,7-TETRAOXA-13-AZACYCLOPENTADEC-13-YLCARBONYL)-BENZOIC ACID
1Identification
【Name】
2-(1,4,7-TETRAOXA-13-AZACYCLOPENTADEC-13-YLCARBONYL)-BENZOIC ACID
【CAS】
【MDL】
MFCD00361252
【English Synonyms】
【Formula】
C19 H27 N O7
【MolWeight】
381.422
【Inchi】
InChI=1S/C19H27NO7/c1-23-19(22)17-5-3-2-4-16(17)18(21)20-6-8-24-10-12-26-14-15-27-13-11-25-9-7-20/h2-5H,6-15H2,1H3
【InChIKey】
InChIKey=KNFXBEFCSYTNHL-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccccc1C(=O)N2CCOCCOCCOCCOCC2
【MOL File】
2-(1,4,7-TETRAOXA-13….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(1,4,7-TETRAOXA-13-AZACYCLOPENTADEC-13-YLCARBONYL)-BENZOIC ACID.cml