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114120-88-6 | Thieno[3,4-d]isoxazole, 3a,4,6,6a-tetrahydro-3-phenyl-, 5,5-dioxide
CAS No: 114120-88-6 Catalog No: AG000ANB MDL No:
Product Description
Catalog Number:
AG000ANB
Chemical Name:
Thieno[3,4-d]isoxazole, 3a,4,6,6a-tetrahydro-3-phenyl-, 5,5-dioxide
CAS Number:
114120-88-6
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,2]oxazole 5,5-dioxide
InChI:
InChI=1S/C11H11NO3S/c13-16(14)6-9-10(7-16)15-12-11(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChI Key:
GOIUYLZWEIXHRL-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2C(C1)ON=C2c1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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