5653-41-8
2-[2-(CARBOXYMETHOXY)-4-METHOXYBENZOYL]-4,5-DIMETHOXY-BENZOIC ACID
Name2-[2-(CARBOXYMETHOXY)-4-METHOXYBENZOYL]-4,5-DIMETHOXY-BENZOIC ACID
1Identification
【Name】
2-[2-(CARBOXYMETHOXY)-4-METHOXYBENZOYL]-4,5-DIMETHOXY-BENZOIC ACID
【CAS】
【MDL】
MFCD20265700
【English Synonyms】
【Formula】
C19 H18 O9
【MolWeight】
390.342
【Inchi】
InChI=1S/C19H18O9/c1-25-10-4-5-11(14(6-10)28-9-17(20)21)18(22)12-7-15(26-2)16(27-3)8-13(12)19(23)24/h4-8H,9H2,1-3H3,(H,20,21)(H,23,24)
【InChIKey】
InChIKey=GJCIHULMEYNRJO-UHFFFAOYSA-N
【SMILES】
COc1ccc(c(c1)OCC(=O)O)C(=O)c2cc(c(cc2C(=O)O)OC)OC
【MOL File】
2-[2-(CARBOXYMETHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-(CARBOXYMETHOXY)-4-METHOXYBENZOYL]-4,5-DIMETHOXY-BENZOIC ACID.cml