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139593-72-9 | 1,3-Butanedione, 2-[(4-hydroxyphenyl)methylene]-1-phenyl-
CAS No: 139593-72-9 Catalog No: AG001BC4 MDL No:
Product Description
Catalog Number:
AG001BC4
Chemical Name:
1,3-Butanedione, 2-[(4-hydroxyphenyl)methylene]-1-phenyl-
CAS Number:
139593-72-9
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
2-[(4-hydroxyphenyl)methylidene]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C17H14O3/c1-12(18)16(11-13-7-9-15(19)10-8-13)17(20)14-5-3-2-4-6-14/h2-11,19H,1H3
InChI Key:
DLPYGIRXNPABTB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=C(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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