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127865-49-0 | 3H,6H-Thieno[3,4-c]isoxazole,3a,4-dihydro-6-(1-methylethyl)-,cis-(9CI)
CAS No: 127865-49-0 Catalog No: AG00AHF0 MDL No:
Product Description
Catalog Number:
AG00AHF0
Chemical Name:
3H,6H-Thieno[3,4-c]isoxazole,3a,4-dihydro-6-(1-methylethyl)-,cis-(9CI)
CAS Number:
127865-49-0
IUPAC Name:
(3aS,6R)-6-propan-2-yl-3,3a,4,6-tetrahydrothieno[3,4-c][1,2]oxazole
InChI:
InChI=1S/C8H13NOS/c1-5(2)8-7-6(4-11-8)3-10-9-7/h5-6,8H,3-4H2,1-2H3/t6-,8+/m0/s1
InChI Key:
CTDNOWFDQKVGLD-POYBYMJQSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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