52483-27-9
7-(3,5-DIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID
Name
7-(3,5-DIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID
Formula
C15 H20 O5
MolWeight
280.318
1Identification
【Name】
7-(3,5-DIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID
【CAS】
【MDL】
MFCD02261048
【English Synonyms】
【Formula】
C15 H20 O5
【MolWeight】
280.318
【Inchi】
InChI=1S/C15H20O5/c1-19-12-8-11(9-13(10-12)20-2)14(16)6-4-3-5-7-15(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=TWBXPYASCCYFOI-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1)OC)C(=O)CCCCCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(3,5-DIMETHOXYPHENYL)-7-OXOHEPTANOIC ACID.cml
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Catalog No:7170E 2G
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Catalog No:ICC-022191 1G
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