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3-Acetoxy-1-Adamantanecarboxylic Acid
[CAS# 42711-78-4]

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Identification
Name 3-Acetoxy-1-Adamantanecarboxylic Acid
Synonyms 3-(acetyloxy)-1-adamantanecarboxylic acid; 3-acetyloxyadamantanecarboxylic acid
Molecular Structure CAS#: 42711-78-4, 3-Acetoxy-1-Adamantanecarboxylic Acid
Molecular Formula C13H18O4
Molecular Weight 238.28
CAS Registry Number 42711-78-4
SMILES O=C(O)C13CC2CC(CC(OC(=O)C)(C1)C2)C3
InChI 1S/C13H18O4/c1-8(14)17-13-5-9-2-10(6-13)4-12(3-9,7-13)11(15)16/h9-10H,2-7H2,1H3,(H,15,16)
InChIKey CWYSSFRCRALTAK-UHFFFAOYSA-N
Properties
Density 1.275g/cm3 (Cal.)
Boiling point 357.112°C at 760 mmHg (Cal.)
Flash point 133.791°C (Cal.)
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