Home Nitros 5-Methyl-2-nitrobenzoic acid

5-Methyl-2-nitrobenzoic acid

CAS No.:
3113-72-2
Catalog Number:
AG003MV8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003MV8
Chemical Name:
5-Methyl-2-nitrobenzoic acid
CAS Number:
3113-72-2
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007368
IUPAC Name:
5-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
QRRSIFNWHCKMSW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
EC Number:
221-481-5
UNII:
M9473083XH
NSC Number:
38067
UN Number:
2811
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:
2.4  
Properties