Home Nitros 3,5-Dimethyl-2-nitrobenzoic acid

3,5-Dimethyl-2-nitrobenzoic acid

CAS No.:
52095-18-8
Catalog Number:
AG00DKRO
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG00DKRO
Chemical Name:
3,5-Dimethyl-2-nitrobenzoic acid
CAS Number:
52095-18-8
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD12828399
IUPAC Name:
3,5-dimethyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5-3-6(2)8(10(13)14)7(4-5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
HGFCXXRETYVGMH-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
248  
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