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111943-85-2 | 3,5-DIHYDROXY-4-PHENYLISOXAZOLE HEMIHYDRATE
CAS No: 111943-85-2 Catalog No: AG008YJM MDL No:
Product Description
Catalog Number:
AG008YJM
Chemical Name:
3,5-DIHYDROXY-4-PHENYLISOXAZOLE HEMIHYDRATE
CAS Number:
111943-85-2
IUPAC Name:
5-hydroxy-4-phenyl-1,2-oxazol-3-one;hydrate
InChI:
InChI=1S/2C9H7NO3.H2O/c2*11-8-7(9(12)13-10-8)6-4-2-1-3-5-6;/h2*1-5,12H,(H,10,11);1H2
InChI Key:
XWDKLCUGBPFJQA-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.096g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
372.333g/mol
Monoisotopic Mass:
372.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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