<?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_2S-butan-2-ol">
  <formula concise=" C 4 H 10 O 1 "/>
  <identifier convention="iupac:inchi" value="1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1"/>
  <name convention="IUPAC">(2S)-Butan-2-ol</name>
  <atomArray>
    <atom id="a1" elementType="C" x3="1.906234" y3="0.066110" z3="-0.109384"/>
    <atom id="a2" elementType="C" x3="0.518524" y3="0.657214" z3="0.000484"/>
    <atom id="a3" elementType="C" x3="-0.567649" y3="-0.423191" z3="-0.139928"/>
    <atom id="a4" elementType="C" x3="-1.957728" y3="0.201267" z3="-0.096561"/>
    <atom id="a5" elementType="O" x3="-0.510125" y3="-1.382674" z3="0.901610"/>
    <atom id="a6" elementType="H" x3="2.679978" y3="0.806659" z3="0.126335"/>
    <atom id="a7" elementType="H" x3="2.108977" y3="-0.314077" z3="-1.119208"/>
    <atom id="a8" elementType="H" x3="2.030222" y3="-0.778936" z3="0.588168"/>
    <atom id="a9" elementType="H" x3="0.366762" y3="1.426917" z3="-0.780432"/>
    <atom id="a10" elementType="H" x3="0.403197" y3="1.184119" z3="0.968780"/>
    <atom id="a11" elementType="H" x3="-0.427529" y3="-0.966029" z3="-1.107639"/>
    <atom id="a12" elementType="H" x3="-2.094018" y3="0.898814" z3="-0.932678"/>
    <atom id="a13" elementType="H" x3="-2.126715" y3="0.758742" z3="0.834341"/>
    <atom id="a14" elementType="H" x3="-2.743737" y3="-0.561658" z3="-0.167668"/>
    <atom id="a15" elementType="H" x3="0.413606" y3="-1.573278" z3="1.033779"/>
  </atomArray>
  <bondArray>
    <bond atomRefs2="a1 a2" order="1"/>
    <bond atomRefs2="a1 a6" order="1"/>
    <bond atomRefs2="a1 a7" order="1"/>
    <bond atomRefs2="a1 a8" order="1"/>
    <bond atomRefs2="a2 a3" order="1"/>
    <bond atomRefs2="a2 a9" order="1"/>
    <bond atomRefs2="a2 a10" order="1"/>
    <bond atomRefs2="a3 a4" order="1"/>
    <bond atomRefs2="a3 a5" order="1"/>
    <bond atomRefs2="a3 a11" order="1"/>
    <bond atomRefs2="a4 a12" order="1"/>
    <bond atomRefs2="a4 a13" order="1"/>
    <bond atomRefs2="a4 a14" order="1"/>
    <bond atomRefs2="a5 a15" order="1"/>
  </bondArray>
  <propertyList>
    <property dictRef="cml:molwt" title="Molecular weight">
      <scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">74.1216</scalar>
    </property>
    <property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
      <scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">74.0731649</scalar>
    </property>
    <property dictRef="cml:bp" title="Boiling point">
      <scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">99</scalar>
    </property>
  </propertyList>
</molecule>
