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141894-65-7 | 2(5H)-Furanone, 5-hydroxy-4-[(1E,3E,5E,7E)-8-phenyl-1,3,5,7-octatetraen-1-yl]-
CAS No: 141894-65-7 Catalog No: AG001HCD MDL No:
Product Description
Catalog Number:
AG001HCD
Chemical Name:
2(5H)-Furanone, 5-hydroxy-4-[(1E,3E,5E,7E)-8-phenyl-1,3,5,7-octatetraen-1-yl]-
CAS Number:
141894-65-7
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
2-hydroxy-3-(8-phenylocta-1,3,5,7-tetraenyl)-2H-furan-5-one
InChI:
InChI=1S/C18H16O3/c19-17-14-16(18(20)21-17)13-9-4-2-1-3-6-10-15-11-7-5-8-12-15/h1-14,18,20H
InChI Key:
MPHODRNQPWZKSX-UHFFFAOYSA-N
SMILES:
O=C1OC(C(=C1)/C=C/C=C/C=C/C=C/c1ccccc1)O
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
4
XLogP3:
3.4
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