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Home > Pyridines > 1019376-54-5
1019376-54-5 | 4-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}phenol
CAS No: 1019376-54-5 Catalog No: AG01AGZH MDL No:MFCD11523173
Product Description
Catalog Number:
AG01AGZH
Chemical Name:
4-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}phenol
CAS Number:
1019376-54-5
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
MDL Number:
MFCD11523173
IUPAC Name:
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C14H13NO2S/c16-12-3-1-10(2-4-12)14(17)15-7-5-13-11(9-15)6-8-18-13/h1-4,6,8,16H,5,7,9H2
InChI Key:
BZGZHCVWEMYZFR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)N1CCc2c(C1)ccs2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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