64779-07-3
4-OXO-4-(4-PENTYLPHENYL)BUTANOIC ACID
Name
4-OXO-4-(4-PENTYLPHENYL)BUTANOIC ACID
Formula
C15 H20 O3
MolWeight
248.32
1Identification
【Name】
4-OXO-4-(4-PENTYLPHENYL)BUTANOIC ACID
【CAS】
【MDL】
MFCD00173763
【English Synonyms】
【Formula】
C15 H20 O3
【MolWeight】
248.32
【Inchi】
InChI=1S/C15H20O3/c1-2-3-4-5-12-6-8-13(9-7-12)14(16)10-11-15(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)
【InChIKey】
InChIKey=MIHIJXVJKUGJED-UHFFFAOYSA-N
【SMILES】
CCCCCc1ccc(cc1)C(=O)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-4-(4-PENTYLPHENYL)BUTANOIC ACID.cml
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