111385-66-1
2-(2,3,4,5,6-PENTAMETHYLBENZOYL)BENZOIC ACID
Name
2-(2,3,4,5,6-PENTAMETHYLBENZOYL)BENZOIC ACID
Formula
C19 H20 O3
MolWeight
296.364
1Identification
【Name】
2-(2,3,4,5,6-PENTAMETHYLBENZOYL)BENZOIC ACID
【CAS】
【MDL】
MFCD00051629
【English Synonyms】
【Formula】
C19 H20 O3
【MolWeight】
296.364
【Inchi】
InChI=1S/C19H20O3/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-8-6-7-9-16(15)19(21)22/h6-9H,1-5H3,(H,21,22)
【InChIKey】
InChIKey=DQCUMOMIHACOJZ-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1C)C)C(=O)c2ccccc2C(=O)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,3,4,5,6-PENTAMETHYLBENZOYL)BENZOIC ACID.cml
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