/usr/share/avogadro/fragments/carboxylic_acids/oxalic_acid.cml is in avogadro-data 1.0.3-10.1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 | <?xml version="1.0" encoding="UTF-8"?>
<molecule xmlns="http://www.xml-cml.org/schema"
xmlns:cml="http://www.xml-cml.org/dict/cml"
xmlns:units="http://www.xml-cml.org/units/units"
xmlns:xsd="http://www.w3c.org/2001/XMLSchema"
xmlns:iupac="http://www.iupac.org"
id="CS_oxalic_acid">
<formula concise=" C 2 H 2 O 4 "/>
<identifier convention="iupac:inchi" value="1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)"/>
<name convention="IUPAC">Oxalic acid</name>
<atomArray>
<atom id="a1" elementType="O" x3="1.600049" y3="0.790047" z3="0.112475"/>
<atom id="a2" elementType="C" x3="0.737732" y3="-0.010031" z3="-0.182801"/>
<atom id="a3" elementType="O" x3="1.102611" y3="-1.069051" z3="-0.934307"/>
<atom id="a4" elementType="H" x3="2.033537" y3="-1.028389" z3="-1.132456"/>
<atom id="a5" elementType="C" x3="-0.737548" y3="0.010136" z3="0.182931"/>
<atom id="a6" elementType="O" x3="-1.599867" y3="-0.789795" z3="-0.112804"/>
<atom id="a7" elementType="O" x3="-1.102670" y3="1.068775" z3="0.934937"/>
<atom id="a8" elementType="H" x3="-2.033845" y3="1.028308" z3="1.132024"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a5" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a5 a6" order="2"/>
<bond atomRefs2="a5 a7" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">90.0349</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">89.9953085</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">189</scalar>
</property>
</propertyList>
</molecule>
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