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116626-25-6 | 2,4-Pentanedione, 3-[(5-phenoxy-2-furanyl)methylene]-
CAS No: 116626-25-6 Catalog No: AG000CWA MDL No:
Product Description
Catalog Number:
AG000CWA
Chemical Name:
2,4-Pentanedione, 3-[(5-phenoxy-2-furanyl)methylene]-
CAS Number:
116626-25-6
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
3-[(5-phenoxyfuran-2-yl)methylidene]pentane-2,4-dione
InChI:
InChI=1S/C16H14O4/c1-11(17)15(12(2)18)10-14-8-9-16(20-14)19-13-6-4-3-5-7-13/h3-10H,1-2H3
InChI Key:
LBMVJUBLXHVZDB-UHFFFAOYSA-N
SMILES:
CC(=O)C(=Cc1ccc(o1)Oc1ccccc1)C(=O)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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