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105679-44-5 | 1,2-Benzisoxazole-5,6-diol, 3-(2-methylphenyl)-
CAS No: 105679-44-5 Catalog No: AG007DLH MDL No:
Product Description
Catalog Number:
AG007DLH
Chemical Name:
1,2-Benzisoxazole-5,6-diol, 3-(2-methylphenyl)-
CAS Number:
105679-44-5
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
3-(2-methylphenyl)-1,2-benzoxazole-5,6-diol
InChI:
InChI=1S/C14H11NO3/c1-8-4-2-3-5-9(8)14-10-6-11(16)12(17)7-13(10)18-15-14/h2-7,16-17H,1H3
InChI Key:
LCIYCBCDFVUKIO-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1noc2c1cc(O)c(c2)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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