64779-14-2
4-[4-(HEXYLOXY)PHENYL]-4-OXOBUTANOIC ACID
Name
4-[4-(HEXYLOXY)PHENYL]-4-OXOBUTANOIC ACID
Formula
C16 H22 O4
MolWeight
278.346
1Identification
【Name】
4-[4-(HEXYLOXY)PHENYL]-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD00100660
【English Synonyms】
【Formula】
C16 H22 O4
【MolWeight】
278.346
【Inchi】
InChI=1S/C16H22O4/c1-2-3-4-5-12-20-14-8-6-13(7-9-14)15(17)10-11-16(18)19/h6-9H,2-5,10-12H2,1H3,(H,18,19)
【InChIKey】
InChIKey=MNOIELCLJGGCGM-UHFFFAOYSA-N
【SMILES】
CCCCCCOc1ccc(cc1)C(=O)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-(HEXYLOXY)PHENYL]-4-OXOBUTANOIC ACID.cml
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