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Home > Nitro Compounds > 98895-34-2
98895-34-2 | 4-ethoxy-3-nitrobut-3-en-2-one
CAS No: 98895-34-2 Catalog No: AG01ELXO MDL No:
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
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
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