58230-12-9
4-OXOCYCLOHEXANE-1,1-DICARBOXYLIC ACID
Name
4-OXOCYCLOHEXANE-1,1-DICARBOXYLIC ACID
Formula
C8 H10 O5
MolWeight
186.162
1Identification
【Name】
4-OXOCYCLOHEXANE-1,1-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD12963756
【English Synonyms】
【Formula】
C8 H10 O5
【MolWeight】
186.162
【Inchi】
InChI=1S/C8H10O5/c9-5-1-3-8(4-2-5,6(10)11)7(12)13/h1-4H2,(H,10,11)(H,12,13)
【InChIKey】
InChIKey=NHOAIPRHGSAFDL-UHFFFAOYSA-N
【SMILES】
C1CC(CCC1=O)(C(=O)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-OXOCYCLOHEXANE-1,1-DICARBOXYLIC ACID.cml
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