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69239-15-2 | 1,5-bis(5-methyl-2-furyl)penta-1,4-dien-3-one
CAS No: 69239-15-2 Catalog No: AG005KIK MDL No:
Product Description
Catalog Number:
AG005KIK
Chemical Name:
1,5-bis(5-methyl-2-furyl)penta-1,4-dien-3-one
CAS Number:
69239-15-2
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one
InChI:
InChI=1S/C15H14O3/c1-11-3-7-14(17-11)9-5-13(16)6-10-15-8-4-12(2)18-15/h3-10H,1-2H3/b9-5+,10-6+
InChI Key:
PISDKWAWFIZQNA-NXZHAISVSA-N
SMILES:
O=C(C=Cc1ccc(o1)C)C=Cc1ccc(o1)C
NSC Number:
339622
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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