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139266-57-2 | 2,4-Hexadiene-1,6-dione, 1-(4-bromophenyl)-3,4-dihydroxy-6-phenyl-, (Z,Z)- (9CI)
CAS No: 139266-57-2 Catalog No: AG001ALZ MDL No:
Product Description
Catalog Number:
AG001ALZ
Chemical Name:
2,4-Hexadiene-1,6-dione, 1-(4-bromophenyl)-3,4-dihydroxy-6-phenyl-, (Z,Z)- (9CI)
CAS Number:
139266-57-2
Molecular Formula:
C18H13BrO4
Molecular Weight:
373.1974
IUPAC Name:
1-(4-bromophenyl)-1,6-dihydroxy-6-phenylhexa-1,5-diene-3,4-dione
InChI:
InChI=1S/C18H13BrO4/c19-14-8-6-13(7-9-14)16(21)11-18(23)17(22)10-15(20)12-4-2-1-3-5-12/h1-11,20-21H
InChI Key:
ZBVPSPXCMAXXQE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)/C=C(/C(=C/C(=O)c1ccccc1)/O)\O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.202g/mol
Monoisotopic Mass:
372g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.4
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