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80866-93-9 molecular structure
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2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid

ChemBase ID: 121869
Molecular Formular: C8H10O4
Molecular Mass: 170.1626
Monoisotopic Mass: 170.0579088
SMILES and InChIs

SMILES:
C1(=CC(=O)CC(O1)(C)C)C(=O)O
Canonical SMILES:
O=C1C=C(OC(C1)(C)C)C(=O)O
InChI:
InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKey:
ANKQOBXQEHGUJT-UHFFFAOYSA-N

Cite this record

CBID:121869 http://www.chembase.cn/molecule-121869.html

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