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methyl 2,3-dimethyl-5-nitrobenzoate

CAS No.:
90922-71-7
Catalog Number:
AG01A83T
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
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Product Description
Catalog Number:
AG01A83T
Chemical Name:
methyl 2,3-dimethyl-5-nitrobenzoate
CAS Number:
90922-71-7
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD12172990
IUPAC Name:
methyl 2,3-dimethyl-5-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-6-4-8(11(13)14)5-9(7(6)2)10(12)15-3/h4-5H,1-3H3
InChI Key:
DULYKGKWIIYWPY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1C)C)[N+](=O)[O-]
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties