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113501-80-7 | Benzoic acid, 2-[2-(2-hydroxy-3,5-dimethylphenyl)diazenyl]-
CAS No: 113501-80-7 Catalog No: AG0008T5 MDL No:
Product Description
Catalog Number:
AG0008T5
Chemical Name:
Benzoic acid, 2-[2-(2-hydroxy-3,5-dimethylphenyl)diazenyl]-
CAS Number:
113501-80-7
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
2-[(2-hydroxy-3,5-dimethylphenyl)diazenyl]benzoic acid
InChI:
InChI=1S/C15H14N2O3/c1-9-7-10(2)14(18)13(8-9)17-16-12-6-4-3-5-11(12)15(19)20/h3-8,18H,1-2H3,(H,19,20)
InChI Key:
MZIYJRWQDUTZEA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)N=Nc1ccccc1C(=O)O)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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