<?xml version="1.0"?>
<molecule xmlns="http://www.xml-cml.org/schema/cml2/core" id="CS_propan-2-ol">
 <formula concise=" C 3 H 8 O 1 "/>
 <identifier version="InChI/1">
  <basic>1/C3H8O/c1-3(2)4/h3-4H,1-2H3</basic>
 </identifier>
 <name convention="IUPAC">Propan-2-ol</name>
 <atomArray>
  <atom id="a1" elementType="H" x3="1.968904" y3="-0.028022" z3="1.059642"/>
  <atom id="a2" elementType="C" x3="1.370384" y3="-0.060751" z3="0.140144"/>
  <atom id="a3" elementType="H" x3="1.628613" y3="0.828390" z3="-0.450287"/>
  <atom id="a4" elementType="H" x3="1.684746" y3="-0.942964" z3="-0.431595"/>
  <atom id="a5" elementType="C" x3="-0.122380" y3="-0.124966" z3="0.444378"/>
  <atom id="a6" elementType="H" x3="-0.342327" y3="-1.042220" z3="1.044874"/>
  <atom id="a7" elementType="O" x3="-0.425535" y3="1.008964" z3="1.238514"/>
  <atom id="a8" elementType="H" x3="-1.365612" y3="1.013059" z3="1.358342"/>
  <atom id="a9" elementType="C" x3="-0.939836" y3="-0.153996" z3="-0.845989"/>
  <atom id="a10" elementType="H" x3="-0.777551" y3="0.747262" z3="-1.452004"/>
  <atom id="a11" elementType="H" x3="-0.662336" y3="-1.019266" z3="-1.460930"/>
  <atom id="a12" elementType="H" x3="-2.017071" y3="-0.225489" z3="-0.645088"/>
 </atomArray>
 <bondArray>
  <bond atomRefs2="a1 a2" order="1"/>
  <bond atomRefs2="a2 a3" order="1"/>
  <bond atomRefs2="a2 a4" order="1"/>
  <bond atomRefs2="a2 a5" order="1"/>
  <bond atomRefs2="a5 a6" order="1"/>
  <bond atomRefs2="a5 a7" order="1"/>
  <bond atomRefs2="a5 a9" order="1"/>
  <bond atomRefs2="a7 a8" order="1"/>
  <bond atomRefs2="a9 a10" order="1"/>
  <bond atomRefs2="a9 a11" order="1"/>
  <bond atomRefs2="a9 a12" order="1"/>
 </bondArray>
 <list>
  <propertyList>
   <property dictRef="cml:molwt" title="molecular weight">
    <scalar dataType="xsd:decimal" dictRef="cml:molwt" units="unit:g">60.0950</scalar>
   </property>
   <property dictRef="chemwt:exact_molwt" title="exact molecular weight">
    <scalar dataType="xsd:decimal" dictRef="chemwt:exact_molwt" units="unit:g">60.0575149</scalar>
   </property>
   <property dictRef="cml:mpt" title="melting point">
    <scalar dataType="xsd:decimal" errorValue="1.0" dictRef="cml:mpt" units="unit:celsius">-89</scalar>
   </property>
   <property dictRef="cml:bpt" title="boiling point">
    <scalar dataType="xsd:decimal" errorValue="1.0" dictRef="cml:bpt" units="unit:celsius">82</scalar>
   </property>
  </propertyList>
 </list>
</molecule>
