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Home Nitros Methyl 2-methyl-3-nitrobenzoate

Methyl 2-methyl-3-nitrobenzoate

CAS No.:
59382-59-1
Catalog Number:
AG003ROO
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG003ROO
Chemical Name:
Methyl 2-methyl-3-nitrobenzoate
CAS Number:
59382-59-1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00082564
IUPAC Name:
methyl 2-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
InChI Key:
CRZGFIMLHZTLGT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
236  
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:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
The discovery and synthesis of novel adenosine substituted 2,3-dihydro-1H-isoindol-1-ones: potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1). Bioorganic & medicinal chemistry letters 20040105
Properties