26513-80-4
2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID
Name2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID
1Identification
【Name】
2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID
【CAS】
【MDL】
MFCD03012223
【English Synonyms】
【Formula】
C16 H11 N O5
【MolWeight】
297.265
【Inchi】
InChI=1S/C16H11NO5/c18-14-8-22-13-6-5-9(7-12(13)17-14)15(19)10-3-1-2-4-11(10)16(20)21/h1-7H,8H2,(H,17,18)(H,20,21)
【InChIKey】
InChIKey=FPGWDOSSOOODIX-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)c2ccc3c(c2)NC(=O)CO3)C(=O)O
【MOL File】
2-[(3-OXO-3,4-DIHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID.cml