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56666-67-2 | 4-Diazo-3-phenylisoxazol-5(4H)-one
CAS No: 56666-67-2 Catalog No: AG00ESSB MDL No:
Product Description
Catalog Number:
AG00ESSB
Chemical Name:
4-Diazo-3-phenylisoxazol-5(4H)-one
CAS Number:
56666-67-2
IUPAC Name:
4-diazonio-3-phenyl-1,2-oxazol-5-olate
InChI:
InChI=1S/C9H5N3O2/c10-11-8-7(12-14-9(8)13)6-4-2-1-3-5-6/h1-5H
InChI Key:
DZFBRZWIANVQAC-UHFFFAOYSA-N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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