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136427-35-5 | Butanedioic acid, 2-ethyl-3-oxo-, 1,4-di-2-propen-1-yl ester
CAS No: 136427-35-5 Catalog No: AG0011UQ MDL No:
Product Description
Catalog Number:
AG0011UQ
Chemical Name:
Butanedioic acid, 2-ethyl-3-oxo-, 1,4-di-2-propen-1-yl ester
CAS Number:
136427-35-5
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
bis(prop-2-enyl) 2-ethyl-3-oxobutanedioate
InChI:
InChI=1S/C12H16O5/c1-4-7-16-11(14)9(6-3)10(13)12(15)17-8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChI Key:
WWKICSDWUQEHPP-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(=O)C(C(=O)OCC=C)CC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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