Home Nitros 4-ethoxy-3-nitrobut-3-en-2-one

4-ethoxy-3-nitrobut-3-en-2-one

CAS No.:
98895-34-2
Catalog Number:
AG01ELXO
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ELXO
Chemical Name:
4-ethoxy-3-nitrobut-3-en-2-one
CAS Number:
98895-34-2
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
MDL Number:
MFCD31616213
IUPAC Name:
(E)-4-ethoxy-3-nitrobut-3-en-2-one
InChI:
InChI=1S/C6H9NO4/c1-3-11-4-6(5(2)8)7(9)10/h4H,3H2,1-2H3/b6-4+
InChI Key:
KWFYVTXHLRZERV-GQCTYLIASA-N
SMILES:
CCOC=C([N+](=O)[O-])C(=O)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties