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17103-70-7
4-(3,5-DIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
Name
4-(3,5-DIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
Formula
C12 H14 O5
MolWeight
238.238
1Identification
【Name】
4-(3,5-DIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD02261045
【English Synonyms】
【Formula】
C12 H14 O5
【MolWeight】
238.238
【Inchi】
InChI=1S/C12H14O5/c1-16-9-5-8(6-10(7-9)17-2)11(13)3-4-12(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=PGYAYINNKXZNTH-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1)OC)C(=O)CCC(=O)O
【MOL File】
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
4-(3,5-DIMETHOXYPHENYL)-4-OXOBUTYRIC ACID.cml
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Catalog No:C0183010 5G
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