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90934-85-3

90934-85-3 | 1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-diphenyl-, (1E,4Z,6E)-

CAS No: 90934-85-3 Catalog No: AG006GDO MDL No:

Product Description

Catalog Number:
AG006GDO
Chemical Name:
1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-diphenyl-, (1E,4Z,6E)-
CAS Number:
90934-85-3
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
5-hydroxy-1,7-diphenylhepta-1,4,6-trien-3-one
InChI:
InChI=1S/C19H16O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-15,20H
InChI Key:
DMZJFBKOUHBFQM-UHFFFAOYSA-N
SMILES:
O/C(=C\C(=O)/C=C/c1ccccc1)/C=C/c1ccccc1

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3  
XLogP3:
4.7  

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