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756900-96-6 | 4,5-Benzoxazolediol, 2-(2-hydroxyphenyl)-
CAS No: 756900-96-6 Catalog No: AG008PK1 MDL No:
Product Description
Catalog Number:
AG008PK1
Chemical Name:
4,5-Benzoxazolediol, 2-(2-hydroxyphenyl)-
CAS Number:
756900-96-6
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
2-(2-hydroxyphenyl)-1,3-benzoxazole-4,5-diol
InChI:
InChI=1S/C13H9NO4/c15-8-4-2-1-3-7(8)13-14-11-10(18-13)6-5-9(16)12(11)17/h1-6,15-17H
InChI Key:
YOPNABWSIFAIKJ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1oc2c(n1)c(O)c(cc2)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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