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630112-26-4 | Oxazolo[4,5-e][2,1]benzisoxazole (9CI)
CAS No: 630112-26-4 Catalog No: AG00F9DH MDL No:
Product Description
Catalog Number:
AG00F9DH
Chemical Name:
Oxazolo[4,5-e][2,1]benzisoxazole (9CI)
CAS Number:
630112-26-4
IUPAC Name:
[1,3]oxazolo[4,5-e][2,1]benzoxazole
InChI:
InChI=1S/C8H4N2O2/c1-2-7-8(9-4-11-7)5-3-12-10-6(1)5/h1-4H
InChI Key:
MBNDTUXNJCGCJZ-UHFFFAOYSA-N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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