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Home Nitros 3,5-Dimethyl-4-nitrophenol

3,5-Dimethyl-4-nitrophenol

CAS No.:
5344-97-8
Catalog Number:
AG00DAG5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$87
- +
5g
95%
In Stock USA
United States
$297
- +
25g
95%
In Stock USA
United States
$853
- +
Product Description
Catalog Number:
AG00DAG5
Chemical Name:
3,5-Dimethyl-4-nitrophenol
CAS Number:
5344-97-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00031365
IUPAC Name:
3,5-dimethyl-4-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3
InChI Key:
MMLPWOHLKRXZJA-UHFFFAOYSA-N
SMILES:
Cc1cc(O)cc(c1[N+](=O)[O-])C
NSC Number:
2985
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Solvation of nitrophenol isomers: consequences for solute electronic structure and alkane/water partitioning. The journal of physical chemistry. B 20090122
Properties