6336-53-4
4,7-DIOXO-7-PHENYLHEPTANOIC ACID
Name
4,7-DIOXO-7-PHENYLHEPTANOIC ACID
Formula
C13 H14 O4
MolWeight
234.25
1Identification
【Name】
4,7-DIOXO-7-PHENYLHEPTANOIC ACID
【CAS】
【MDL】
MFCD00020544
【English Synonyms】
【Formula】
C13 H14 O4
【MolWeight】
234.25
【Inchi】
InChI=1S/C13H14O4/c14-11(7-9-13(16)17)6-8-12(15)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)
【InChIKey】
InChIKey=DCNLNHPQCXZOHD-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)CCC(=O)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,7-DIOXO-7-PHENYLHEPTANOIC ACID.cml
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