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89243-28-7 | 1H-Pyrazol-5-ol, 4,4'-heptylidenebis[3-methyl-1-phenyl-
CAS No: 89243-28-7 Catalog No: AG0042NO MDL No:
Product Description
Catalog Number:
AG0042NO
Chemical Name:
1H-Pyrazol-5-ol, 4,4'-heptylidenebis[3-methyl-1-phenyl-
CAS Number:
89243-28-7
Molecular Formula:
C27H32N4O2
Molecular Weight:
444.5686
IUPAC Name:
5-methyl-4-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)heptyl]-2-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C27H32N4O2/c1-4-5-6-13-18-23(24-19(2)28-30(26(24)32)21-14-9-7-10-15-21)25-20(3)29-31(27(25)33)22-16-11-8-12-17-22/h7-12,14-17,23,28-29H,4-6,13,18H2,1-3H3
InChI Key:
CKMIQNBLNAFCCB-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1c(C)nn(c1O)c1ccccc1)c1c(C)nn(c1O)c1ccccc1
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.253g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.579g/mol
Monoisotopic Mass:
444.253g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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