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113858-89-2 | Butanoic acid, 4-ethoxy-2-(ethoxymethylene)-3-oxo-, ethyl ester
CAS No: 113858-89-2 Catalog No: AG0009YJ MDL No:
Product Description
Catalog Number:
AG0009YJ
Chemical Name:
Butanoic acid, 4-ethoxy-2-(ethoxymethylene)-3-oxo-, ethyl ester
CAS Number:
113858-89-2
Molecular Formula:
C11H18O5
Molecular Weight:
230.2576
IUPAC Name:
ethyl 4-ethoxy-2-(ethoxymethylidene)-3-oxobutanoate
InChI:
InChI=1S/C11H18O5/c1-4-14-7-9(11(13)16-6-3)10(12)8-15-5-2/h7H,4-6,8H2,1-3H3
InChI Key:
WHQWOPBEOTVHSH-UHFFFAOYSA-N
SMILES:
CCOCC(=O)C(=COCC)C(=O)OCC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.26g/mol
Monoisotopic Mass:
230.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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