Home Nitros 3,6-dimethoxy-2-nitrobenzoic acid

3,6-dimethoxy-2-nitrobenzoic acid

CAS No.:
50472-09-8
Catalog Number:
AG00DKO6
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
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Product Description
Catalog Number:
AG00DKO6
Chemical Name:
3,6-dimethoxy-2-nitrobenzoic acid
CAS Number:
50472-09-8
Molecular Formula:
C9H9NO6
Molecular Weight:
227.1709
MDL Number:
MFCD06203373
IUPAC Name:
3,6-dimethoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO6/c1-15-5-3-4-6(16-2)8(10(13)14)7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
FWXKXSMYSALLCF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])C(=O)O)OC
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.172g/mol
Monoisotopic Mass:
227.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties