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114044-17-6 | Benzoic acid, 2-[2-(10-hydroxy-9-phenanthrenyl)diazenyl]-
CAS No: 114044-17-6 Catalog No: AG000AE5 MDL No:
Product Description
Catalog Number:
AG000AE5
Chemical Name:
Benzoic acid, 2-[2-(10-hydroxy-9-phenanthrenyl)diazenyl]-
CAS Number:
114044-17-6
Molecular Formula:
C21H14N2O3
Molecular Weight:
342.3475
IUPAC Name:
2-[(10-hydroxyphenanthren-9-yl)diazenyl]benzoic acid
InChI:
InChI=1S/C21H14N2O3/c24-20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)23-22-18-12-6-5-11-17(18)21(25)26/h1-12,24H,(H,25,26)
InChI Key:
ZBFWQUSTBHUUBP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N=Nc1c(O)c2ccccc2c2c1cccc2
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.354g/mol
Monoisotopic Mass:
342.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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