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85462-73-3 | 4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro-3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride(1:1)
CAS No: 85462-73-3 Catalog No: AG004SAU MDL No:
Product Description
Catalog Number:
AG004SAU
Chemical Name:
4H-Cyclopenta[b]thiophene-2-carboxylicacid, 5,6-dihydro-3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride(1:1)
CAS Number:
85462-73-3
Molecular Formula:
C14H22ClNO4S
Molecular Weight:
335.8468
IUPAC Name:
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C14H21NO4S.ClH/c1-8(2)15-6-9(16)7-19-12-10-4-3-5-11(10)20-13(12)14(17)18;/h8-9,15-16H,3-7H2,1-2H3,(H,17,18);1H
InChI Key:
GIXSGKNFVZLNJN-UHFFFAOYSA-N
SMILES:
OC(COc1c(sc2c1CCC2)C(=O)O)CNC(C)C.Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
335.843g/mol
Monoisotopic Mass:
335.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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