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

2,3-dimethyl-6-nitrobenzoic acid

CAS No.:
90564-16-2
Catalog Number:
AG01C3CN
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01C3CN
Chemical Name:
2,3-dimethyl-6-nitrobenzoic acid
CAS Number:
90564-16-2
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD28795141
IUPAC Name:
2,3-dimethyl-6-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5-3-4-7(10(13)14)8(6(5)2)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
ZBDQMAHZWQQWSG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(ccc(c1C)C)[N+](=O)[O-]
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties