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116423-64-4 | Benzoic acid, 4-[2-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]diazenyl]-
CAS No: 116423-64-4 Catalog No: AG000CG9 MDL No:
Product Description
Catalog Number:
AG000CG9
Chemical Name:
Benzoic acid, 4-[2-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]diazenyl]-
CAS Number:
116423-64-4
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
IUPAC Name:
4-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid
InChI:
InChI=1S/C17H18N2O3/c1-10(2)14-9-15(11(3)8-16(14)20)19-18-13-6-4-12(5-7-13)17(21)22/h4-10,20H,1-3H3,(H,21,22)
InChI Key:
HVYFDRRNPVFOJR-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(cc1N=Nc1ccc(cc1)C(=O)O)C(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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