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116705-08-9 | Thieno[2,3-b]quinoline-2-carboxylic acid, 3-amino-, ethyl ester
CAS No: 116705-08-9 Catalog No: AG000D0D MDL No:
Product Description
Catalog Number:
AG000D0D
Chemical Name:
Thieno[2,3-b]quinoline-2-carboxylic acid, 3-amino-, ethyl ester
CAS Number:
116705-08-9
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
ethyl 3-aminothieno[2,3-b]quinoline-2-carboxylate
InChI:
InChI=1S/C14H12N2O2S/c1-2-18-14(17)12-11(15)9-7-8-5-3-4-6-10(8)16-13(9)19-12/h3-7H,2,15H2,1H3
InChI Key:
PJSDRBYFFOEWBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1N)cc1c(n2)cccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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