Home Nitro Compounds 74319-96-3
74319-96-3,MFCD12173013
Catalog No.:AA00FGEQ

74319-96-3 | 3,4-Dimethyl-5-nitrobenzoic acid

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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FGEQ
Chemical Name:
3,4-Dimethyl-5-nitrobenzoic acid
CAS Number:
74319-96-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD12173013
SMILES:
CC1=C(C(=CC(=C1)C(=O)O)[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]Braendstroem,A.;Carlsson,A.I.[ActaChemicaScandinavica(1947),1967,vol.21,p.983-992]

[1]Courtin,Alfred;Tobel,Hans-Rudolfvon[HelveticaChimicaActa,1980,vol.63,#2,p.385-394]

[2]Courtin,Alfred;Tobel,Hans-Rudolfvon[HelveticaChimicaActa,1980,vol.63,#2,p.385-394]

[3]Atwell,GrahamJ;Yang,Shangjin;Denny,WilliamA[EuropeanJournalofMedicinalChemistry,2002,vol.37,#10,p.825-828]

[1]Divekar,P.V.;Vining,L.C.[CanadianJournalofChemistry,1964,vol.42,p.63-68]

[1]Divekar,P.V.;Vining,L.C.[CanadianJournalofChemistry,1964,vol.42,p.63-68]

Literature
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SDS
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Tags:74319-96-3 Molecular Formula|74319-96-3 MDL|74319-96-3 SMILES|74319-96-3 3,4-Dimethyl-5-nitrobenzoic acid