Home Nitro Compounds 57281-77-3
57281-77-3,MFCD09834816
Catalog No.:AA00EK85
57281-77-3 | 3-Methoxy-4-methyl-2-nitrobenzoic acid
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500mg
97%
1 week  
$270.00
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1g
97%
1 week  
$395.00
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5g
97%
1 week  
$1,252.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00EK85
Chemical Name:
3-Methoxy-4-methyl-2-nitrobenzoic acid
CAS Number:
57281-77-3
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD09834816
IUPAC Name:
3-methoxy-4-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-5-3-4-6(9(11)12)7(10(13)14)8(5)15-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
PJEQOQBIFDMSON-UHFFFAOYSA-N
SMILES:
COc1c(C)ccc(c1[N+](=O)[O-])C(=O)O
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-METHOXY-4-METHYL-2-NITROBENZOIC ACID 
57281-77-3 
DS-0268 
KS-000024J2 
AN-39946 
BR-23707 
Benzoic acid,3-methoxy-4-methyl-2-nitro- 
AB0025584 
AJ-102681 
AX8158005 
ST2410753 
TR-020006 
3-methoxy-4-methyl-2-nitro-benzoic acid 
4CH-007885 
FT-0645647 
W7070 
S-6181 
281M773 
C9H9NO5 
3-Methoxy-4-methyl-2-nitrobenzoicacid 
AK-23707 
CTK5A6574 
DTXSID50671941 
ANW-51405 
MFCD09834816 
ZINC40448379 
AKOS015851573 
Literature
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