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113388-26-4 | 3,5-Hexadien-2-one, 6-(2-furanyl)-, (3E,5E)-
CAS No: 113388-26-4 Catalog No: AG0008DI MDL No:
Product Description
Catalog Number:
AG0008DI
Chemical Name:
3,5-Hexadien-2-one, 6-(2-furanyl)-, (3E,5E)-
CAS Number:
113388-26-4
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
6-(furan-2-yl)hexa-3,5-dien-2-one
InChI:
InChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h2-8H,1H3
InChI Key:
SGYAMNNIKRWVKZ-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/C=C/c1ccco1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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