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Home >> Chemical Listing >> Page 2152 >> (1R,2S,3S,4S)-3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2S,3S,4S)-3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
[CAS# 658704-71-3]

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Identification
Name (1R,2S,3S,4S)-3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Molecular Structure CAS#: 658704-71-3, (1R,2S,3S,4S)-3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Molecular Formula C15H16O4
Molecular Weight 260.29
CAS Registry Number 658704-71-3
SMILES Cc1ccc(cc1)C(=O)C2C3CCC(C2C(=O)O)O3
InChI 1S/C15H16O4/c1-8-2-4-9(5-3-8)14(16)12-10-6-7-11(19-10)13(12)15(17)18/h2-5,10-13H,6-7H2,1H3,(H,17,18)/t10-,11+,12+,13+/m0/s1
InChIKey XQSHVUSGAKRWTR-UMSGYPCISA-N
Properties
Density 1.29g/cm3 (Cal.)
Boiling point 462.748°C at 760 mmHg (Cal.)
Flash point 176.649°C (Cal.)
Refractive index 1.587 (Cal.)
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