Microsoft Word - Document1

C9H8O4
C9H8O4 iis ia icommon idrug ifor irelieving iminor iaches, ipains, iand ifevers. iPeople ialso iuse iit ias ian ianti-inflammatory ior ia iblood ithinner.
It iis ialso iknown ias iAspirin ior i2-Acetoxybenzoic iacid. iIt iappears ias ia icrystalline ipowder iwhich iis icolourless ito iwhite. iGenerally, iit ihas ino ismell ibut iwhen iin imoist iair iit iacquires ia ismell iof iacetic iacid. iIt ihas ia iflashpoint iof i482° iF. iIt iis imost iwidely iused iin imedication ito itreat ipain, iinflammation, iand ifever.
Aspirin iis ione iof ithe isafest iand imost ieffective imedicines iand iis iextensively iused imedications iglobally, iwhich iis idisplayed ion ithe iWHO’s iList iof iEssential iMedicines.
    Molecular iWeight
    180.16 ig/mol
    XLogP3
    2.2
    Hydrogen iBond iDonor iCount
    2
    Hydrogen iBond iAcceptor iCount
    4
    Rotatable iBond iCount
    2
    Exact iMass
    180.042259 ig/mol
    Monoisotopic iMass
    180.042259 ig/mol
    Topological iPolar iSurface iArea
    74.6 iŲ
    Heavy iAtom iCount
    13
    Formal iCharge
    0
    Complexity
    224
    Isotope iAtom iCount
    0
    Defined iAtom iStereocenter iCount
    0
    Undefined iAtom iStereocenter iCount
    0
    Defined iBond iStereocenter iCount
    0
    Undefined iBond iStereocenter iCount
    0
    Covalently-Bonded iUnit iCount
    1
    Compound iIs iCanonicalized
    Yes
Uses iof iAcetylsalicylic iacid i(C9H8O4)
· Acetylsalicylic iacid iacts ias ian iinhibitor iof icyclo ioxygenase.
· It iis iused ito iprevent ivenous iand iarterial ithrombosis.
· It iis iused iin ithe itreatment iof idifferent itypes iof iheadaches.
· It iis iused ias ian ianti-inflammatory iagent ifor ilong-term ias iwell ias iacute iinflammation.
· It iis ithought ito ireduce ithe ioverall irisk iof igetting icancer, iand idying ifrom icancer.
Mass iSpectrometry
    NIST iNumbe
    1174669
    Instrument iType
    IT/ion itrap
    Collision iEnergy
    0
    Spectrum iType
    MS2
    Precursor iType
    [M+H]+
    Precursor im/z
    181.0495
    Total iPeaks
    2
    m/z iTop iPeak
    163
    m/z i2nd iHighest
    181
    m/z i3rd iHighest
    0
    NIST iNumbe
    1174699
    Instrument iType
    IT/ion itrap
    Collision iEnergy
    0
    Spectrum iType
    MS2
    Precursor iType
    [M-H]-
    Precursor im/z
    179.035
    Total iPeaks
    3
    m/z iTop iPeak
    135
    m/z i2nd iHighest
    180
    m/z i3rd iHighest
    93.3
Spectrum
Aspirin icontains ialiphatic, iaromatic iand ica
oxylic iacid iprotons ithat ispan ia iwide irange iof ithe i1H ispectrum, iand isignal iintegration ireveals ia i3:4:1 iintensity idistribution, irespectively. iThe ica
oxylic iacid iresonance i(O=COH) iis iidentified iby ia icharacteristic idownfield ichemical ishift iat i11.77 ippm. iCa
oxylic iacids iexist ias istable ihydrogen-bound idimers iin inon-polar isolvents iand ithese istrongly ideshielded iprotons itypically iappear ibetween i11-12 ippm.
Signal i
oadening isuggests ia imoderate irate iof idynamic iproton iexchange iof ithe ilabile iproton. iAromatic iprotons iappear ias ia iseries iof imultiplets. iDissimilar iphenyl iring isubstituents icause iring iproton ichemical...