96078-22-7
2-[(4-METHYL-2-OXO-2H-CHROMEN-6-YL)OXY]PROPANOIC ACID
Name2-[(4-METHYL-2-OXO-2H-CHROMEN-6-YL)OXY]PROPANOIC ACID
1Identification
【Name】
2-[(4-METHYL-2-OXO-2H-CHROMEN-6-YL)OXY]PROPANOIC ACID
【CAS】
【MDL】
MFCD02955615
【English Synonyms】
【Formula】
C13 H12 O5
【MolWeight】
248.233
【Inchi】
InChI=1S/C13H12O5/c1-7-5-12(14)18-11-4-3-9(6-10(7)11)17-8(2)13(15)16/h3-6,8H,1-2H3,(H,15,16)
【InChIKey】
InChIKey=UPXDHEXQSUSAKG-UHFFFAOYSA-N
【SMILES】
Cc1cc(=O)oc2c1cc(cc2)OC(C)C(=O)O
【MOL File】
2-[(4-METHYL-2-OXO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4-METHYL-2-OXO-2H-CHROMEN-6-YL)OXY]PROPANOIC ACID.cml