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3057-91-8
SPIRO[3.3]HEPTANE-2,6-DICARBOXYLIC ACID
Name
SPIRO[3.3]HEPTANE-2,6-DICARBOXYLIC ACID
Formula
C9 H12 O4
MolWeight
184.19
1Identification
【Name】
SPIRO[3.3]HEPTANE-2,6-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD00610028
【English Synonyms】
【Formula】
C9 H12 O4
【MolWeight】
184.19
【Inchi】
InChI=1S/C9H12O4/c10-7(11)5-1-9(2-5)3-6(4-9)8(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)
【InChIKey】
InChIKey=JQZAKMJZYGPUFD-UHFFFAOYSA-N
【SMILES】
C1C(CC12CC(C2)C(=O)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
SPIRO[3.3]HEPTANE-2,6-DICARBOXYLIC ACID.cml
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