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844681-18-1 | Ketone, 4-isoxazolyl 5-isoxazolyl
CAS No: 844681-18-1 Catalog No: AG00GFCS MDL No:
Product Description
Catalog Number:
AG00GFCS
Chemical Name:
Ketone, 4-isoxazolyl 5-isoxazolyl
CAS Number:
844681-18-1
IUPAC Name:
1,2-oxazol-4-yl(1,2-oxazol-5-yl)methanone
InChI:
InChI=1S/C7H4N2O3/c10-7(5-3-9-11-4-5)6-1-2-8-12-6/h1-4H
InChI Key:
VUMPDWCPNSWCPJ-UHFFFAOYSA-N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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