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28495-02-5 | 4H-Pyrano[4,3-c]isoxazol-4-one,3,6-dimethyl-(8CI)
CAS No: 28495-02-5 Catalog No: AG00BTKB MDL No:
Product Description
Catalog Number:
AG00BTKB
Chemical Name:
4H-Pyrano[4,3-c]isoxazol-4-one,3,6-dimethyl-(8CI)
CAS Number:
28495-02-5
IUPAC Name:
3,6-dimethylpyrano[4,3-c][1,2]oxazol-4-one
InChI:
InChI=1S/C8H7NO3/c1-4-3-6-7(8(10)11-4)5(2)12-9-6/h3H,1-2H3
InChI Key:
JFBPVAFXMSPVEC-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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