Home Other Building Blocks Acetic acid,(5-oxo-2(5H)-furanylidene)-, ethyl ester,(2E)

Acetic acid,(5-oxo-2(5H)-furanylidene)-, ethyl ester,(2E)

CAS No.:
57690-99-0
Catalog Number:
AG01DHAK
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$137
- +
250mg
95%
In Stock USA
United States
$240
- +
Product Description
Catalog Number:
AG01DHAK
Chemical Name:
Acetic acid,(5-oxo-2(5H)-furanylidene)-, ethyl ester,(2E)
CAS Number:
57690-99-0
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD29477669
IUPAC Name:
ethyl (2E)-2-(5-oxofuran-2-ylidene)acetate
InChI:
InChI=1S/C8H8O4/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-5H,2H2,1H3/b6-5+
InChI Key:
KAESMWOYICBQIZ-AATRIKPKSA-N
SMILES:
CCOC(=O)/C=C\1/OC(=O)C=C1
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties