Home Other Building Blocks 4-Nitrocinnamyl alcohol

4-Nitrocinnamyl alcohol

CAS No.:
1504-63-8
Catalog Number:
AG001MLT
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$153
- +
5g
>98.0%(GC)
1 week
United States
$400
- +
Product Description
Catalog Number:
AG001MLT
Chemical Name:
4-Nitrocinnamyl alcohol
CAS Number:
1504-63-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00017045
IUPAC Name:
(E)-3-(4-nitrophenyl)prop-2-en-1-ol
InChI:
InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+
InChI Key:
LGXXEDSIJZHDBN-OWOJBTEDSA-N
SMILES:
OCC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties