Home Nitros 3-Methyl-5-nitrobenzoic acid

3-Methyl-5-nitrobenzoic acid

CAS No.:
113882-33-0
Catalog Number:
AG000A00
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$60
- +
5g
98%
In Stock USA
United States
$179
- +
10g
98%
In Stock USA
United States
$298
- +
25g
98%
In Stock USA
United States
$535
- +
Product Description
Catalog Number:
AG000A00
Chemical Name:
3-Methyl-5-nitrobenzoic acid
CAS Number:
113882-33-0
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00129754
IUPAC Name:
3-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
XAPRFOJQNGFJSZ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties