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441351-91-3 | 4H-3,5-Methanoisoxazolo[4,5-d][1,2]thiazepine(9CI)
CAS No: 441351-91-3 Catalog No: AG00DXHC MDL No:
Product Description
Catalog Number:
AG00DXHC
Chemical Name:
4H-3,5-Methanoisoxazolo[4,5-d][1,2]thiazepine(9CI)
CAS Number:
441351-91-3
IUPAC Name:
3-oxa-7-thia-2,8-diazatricyclo[6.2.1.04,10]undeca-1,4(10),5-triene
InChI:
InChI=1S/C7H6N2OS/c1-2-11-9-3-5-6(4-9)8-10-7(1)5/h1-2H,3-4H2
InChI Key:
XQOWSTNKSAMIEC-UHFFFAOYSA-N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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