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111811-31-5 | 1,3-Benzenediol, 4-[(5-methyl-3-isoxazolyl)azo]-
CAS No: 111811-31-5 Catalog No: AG007S4A MDL No:
Product Description
Catalog Number:
AG007S4A
Chemical Name:
1,3-Benzenediol, 4-[(5-methyl-3-isoxazolyl)azo]-
CAS Number:
111811-31-5
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
4-[(5-methyl-1,2-oxazol-3-yl)diazenyl]benzene-1,3-diol
InChI:
InChI=1S/C10H9N3O3/c1-6-4-10(13-16-6)12-11-8-3-2-7(14)5-9(8)15/h2-5,14-15H,1H3
InChI Key:
VTZNDVYXVQPHJF-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)N=Nc1noc(c1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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