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125500-84-7 | Hexanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester
CAS No: 125500-84-7 Catalog No: AG000NRA MDL No:
Product Description
Catalog Number:
AG000NRA
Chemical Name:
Hexanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl ester
CAS Number:
125500-84-7
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
ethyl (2Z)-2-(ethoxymethylidene)-3-oxohexanoate
InChI:
InChI=1S/C11H18O4/c1-4-7-10(12)9(8-14-5-2)11(13)15-6-3/h8H,4-7H2,1-3H3/b9-8-
InChI Key:
LECIVGGFOMFFFQ-HJWRWDBZSA-N
SMILES:
CCOC=C(C(=O)OCC)C(=O)CCC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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