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17544-47-7 | 4-Hexenoic acid, 3-oxo-, ethyl ester
CAS No: 17544-47-7 Catalog No: AG002105 MDL No:
Product Description
Catalog Number:
AG002105
Chemical Name:
4-Hexenoic acid, 3-oxo-, ethyl ester
CAS Number:
17544-47-7
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
ethyl 3-oxohex-4-enoate
InChI:
InChI=1S/C8H12O3/c1-3-5-7(9)6-8(10)11-4-2/h3,5H,4,6H2,1-2H3
InChI Key:
GAWHNZKGIRQKAX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C=CC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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