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83949-95-5 | 1H-Indole-2-carboxaldehyde,2,3-dihydro-2-hydroxy-1,3,3-trimethyl-,2-methyl-2-[4-(2-phenyldiazenyl)phenyl]hydrazone
CAS No: 83949-95-5 Catalog No: AG008HLB MDL No:
Product Description
Catalog Number:
AG008HLB
Chemical Name:
1H-Indole-2-carboxaldehyde,2,3-dihydro-2-hydroxy-1,3,3-trimethyl-,2-methyl-2-[4-(2-phenyldiazenyl)phenyl]hydrazone
CAS Number:
83949-95-5
Molecular Formula:
C25H27N5O
Molecular Weight:
413.5148
IUPAC Name:
1,3,3-trimethyl-2-[(E)-[methyl-(4-phenyldiazenylphenyl)hydrazinylidene]methyl]indol-2-ol
InChI:
InChI=1S/C25H27N5O/c1-24(2)22-12-8-9-13-23(22)29(3)25(24,31)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19/h5-18,31H,1-4H3/b26-18+,28-27?
InChI Key:
PIVIPXDVOAMQBP-RFZNJWTKSA-N
SMILES:
CN(c1ccc(cc1)N=Nc1ccccc1)N=CC1(O)N(C)c2c(C1(C)C)cccc2
EC Number:
281-452-8
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
413.222g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.525g/mol
Monoisotopic Mass:
413.222g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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