200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 27761-57-5
27761-57-5 | Propanedioic acid, 2-(1-oxo-2-buten-1-yl)-, 1,3-diethyl ester
CAS No: 27761-57-5 Catalog No: AG002UOQ MDL No:
Product Description
Catalog Number:
AG002UOQ
Chemical Name:
Propanedioic acid, 2-(1-oxo-2-buten-1-yl)-, 1,3-diethyl ester
CAS Number:
27761-57-5
Molecular Formula:
C11H16O5
Molecular Weight:
228.2417
IUPAC Name:
diethyl 2-but-2-enoylpropanedioate
InChI:
InChI=1S/C11H16O5/c1-4-7-8(12)9(10(13)15-5-2)11(14)16-6-3/h4,7,9H,5-6H2,1-3H3
InChI Key:
DSBIEUUZEVOQGW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C=CC)C(=O)OCC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.244g/mol
Monoisotopic Mass:
228.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.