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85136-55-6 | 4-[[2-methoxy-4-(2-methoxyphenyl)diazenyl-phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
CAS No: 85136-55-6 Catalog No: AG004N75 MDL No:
Product Description
Catalog Number:
AG004N75
Chemical Name:
4-[[2-methoxy-4-(2-methoxyphenyl)diazenyl-phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
CAS Number:
85136-55-6
Molecular Formula:
C20H18N4O3
Molecular Weight:
362.3819
IUPAC Name:
4-[[2-methoxy-4-[(2-methoxyphenyl)diazenyl]phenyl]diazenyl]phenol
InChI:
InChI=1S/C20H18N4O3/c1-26-19-6-4-3-5-17(19)23-22-15-9-12-18(20(13-15)27-2)24-21-14-7-10-16(25)11-8-14/h3-13,25H,1-2H3
InChI Key:
QSWOFMGVVDQADO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NN=C1C=CC(=O)C=C1)N=Nc1ccccc1OC
EC Number:
285-779-7
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.138g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.389g/mol
Monoisotopic Mass:
362.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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