Home Nitros 3-Methyl-4-nitrobenzyl alcohol

3-Methyl-4-nitrobenzyl alcohol

CAS No.:
80866-75-7
Catalog Number:
AG0033R8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
25g
98%(GC)
In Stock USA
United States
$748
- +
Product Description
Catalog Number:
AG0033R8
Chemical Name:
3-Methyl-4-nitrobenzyl alcohol
CAS Number:
80866-75-7
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007171
IUPAC Name:
(3-methyl-4-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10H,5H2,1H3
InChI Key:
KOVQGYQQVNCUBR-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)C)[N+](=O)[O-]
EC Number:
279-578-3
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:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties