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89010-57-1 | 1,3-Butanedione, 2-[(4-hydroxyphenyl)azo]-1-phenyl-
CAS No: 89010-57-1 Catalog No: AG0043K7 MDL No:
Product Description
Catalog Number:
AG0043K7
Chemical Name:
1,3-Butanedione, 2-[(4-hydroxyphenyl)azo]-1-phenyl-
CAS Number:
89010-57-1
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
2-[(4-hydroxyphenyl)diazenyl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C16H14N2O3/c1-11(19)15(16(21)12-5-3-2-4-6-12)18-17-13-7-9-14(20)10-8-13/h2-10,15,20H,1H3
InChI Key:
RXKDQBITNYXJBY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N=NC(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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