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116902-14-8 | Benzoic acid, 2-hydroxy-5-[2-(2-hydroxyphenyl)diazenyl]-, methyl ester
CAS No: 116902-14-8 Catalog No: AG000DCR MDL No:
Product Description
Catalog Number:
AG000DCR
Chemical Name:
Benzoic acid, 2-hydroxy-5-[2-(2-hydroxyphenyl)diazenyl]-, methyl ester
CAS Number:
116902-14-8
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
methyl 2-hydroxy-5-[(2-hydroxyphenyl)diazenyl]benzoate
InChI:
InChI=1S/C14H12N2O4/c1-20-14(19)10-8-9(6-7-12(10)17)15-16-11-4-2-3-5-13(11)18/h2-8,17-18H,1H3
InChI Key:
WQNDOXOFYJGDEG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1O)N=Nc1ccccc1O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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