Home Nitros 3,5-Dimethyl-4-nitrobenzoic acid

3,5-Dimethyl-4-nitrobenzoic acid

CAS No.:
3095-38-3
Catalog Number:
AG0031Q1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$263
- +
25g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0031Q1
Chemical Name:
3,5-Dimethyl-4-nitrobenzoic acid
CAS Number:
3095-38-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00014699
IUPAC Name:
3,5-dimethyl-4-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI Key:
RBAVFNOGEPCOQI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cc(cc1C)C(=O)O
NSC Number:
67705
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:
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