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113541-26-7 | 2,4-Hexadienoic acid, 6-(2-furanyl)-6-oxo-, ethyl ester, (2E,4E)-
CAS No: 113541-26-7 Catalog No: AG0008XR MDL No:
Product Description
Catalog Number:
AG0008XR
Chemical Name:
2,4-Hexadienoic acid, 6-(2-furanyl)-6-oxo-, ethyl ester, (2E,4E)-
CAS Number:
113541-26-7
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
ethyl 6-(furan-2-yl)-6-oxohexa-2,4-dienoate
InChI:
InChI=1S/C12H12O4/c1-2-15-12(14)8-4-3-6-10(13)11-7-5-9-16-11/h3-9H,2H2,1H3
InChI Key:
QGVBFVRDDJAWHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/C=C/C(=O)c1ccco1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.1
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