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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
6706-13-4
1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo- | 6706-13-4
Product name:1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
CAS No:
6706-13-4
MF:C13H22N2O3S
MW:286.39038
CID:395416
PubChem ID:
71374925
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Basic Information
Names and Identifiers
1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
8-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)octanoic acid
8-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)octanoic acid
6706-13-4
DTXSID80797683
InChIKey:YMZOIKAUIJYLSR-UHFFFAOYSA-N
Inchi:InChI=1S/C13H22N2O3S/c16-11(17)7-5-3-1-2-4-6-10-12-9(8-19-10)14-13(18)15-12/h9-10,12H,1-8H2,(H,16,17)(H2,14,15,18)
SMILES:C1C2C(C(S1)CCCCCCCC(=O)O)NC(=O)N2
Chemical and Physical Properties
Computed Properties
Exact Mass: 286.13526
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 8
Monoisotopic Mass: 286.13511374g/mol
Heavy Atom Count: 19
Complexity: 338
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 3
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
XLogP3: 2
Topological Polar Surface Area: 104Ų
Experimental Properties
PSA: 78.43
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