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146697-42-9 | Thieno[3,4-d]isoxazole, 4,6-dihydro-, 5,5-dioxide (9CI)
CAS No: 146697-42-9 Catalog No: AG00B7RB MDL No:
Product Description
Catalog Number:
AG00B7RB
Chemical Name:
Thieno[3,4-d]isoxazole, 4,6-dihydro-, 5,5-dioxide (9CI)
CAS Number:
146697-42-9
IUPAC Name:
4,6-dihydrothieno[3,4-d][1,2]oxazole 5,5-dioxide
InChI:
InChI=1S/C5H5NO3S/c7-10(8)2-4-1-6-9-5(4)3-10/h1H,2-3H2
InChI Key:
CJCVKWWSYIEXRC-UHFFFAOYSA-N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.159g/mol
Monoisotopic Mass:
158.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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