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114087-13-7 | Thieno[3,4-d]oxazol-2(3H)-one, tetrahydro-6a-methyl- (9CI)
CAS No: 114087-13-7 Catalog No: AG009ULB MDL No:
Product Description
Catalog Number:
AG009ULB
Chemical Name:
Thieno[3,4-d]oxazol-2(3H)-one, tetrahydro-6a-methyl- (9CI)
CAS Number:
114087-13-7
IUPAC Name:
6a-methyl-3,3a,4,6-tetrahydrothieno[3,4-d][1,3]oxazol-2-one
InChI:
InChI=1S/C6H9NO2S/c1-6-3-10-2-4(6)7-5(8)9-6/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
QSJDMGLEHSVBDH-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.203g/mol
Monoisotopic Mass:
159.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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