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A 769662

CAT: 0572-TRC-A101205-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A101205-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
844499-71-4
Synonyms
4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile; 6,7-Dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo-thieno[2,3-b]pyridine-5-carbonitrile
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
[Na+].CCC(=O)O[C@H](C(C)C)OP(CCCCc1ccccc1)(=O)CC(=O)N2C([C@@H](=O)[O-])C[C@@H](C3CCCCC3)C2
Molecular Formula
C20H12N2O3S
Molecular Weight
360.39
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

A-769662

4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile is a member of biphenyls.

CAS Number844499-71-4
PubChem CID54708532
IUPAC Name4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
Molecular FormulaC20H12N2O3S
Molecular Weight360.4
XLogP4.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity647
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=C(C(=O)N4)C#N)O)O
InChI
InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
InChIKey
CTESJDQKVOEUOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-769662
CAS: 844499-71-4
CID: 54708532
Formula: C20H12N2O3S
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.05686342
Monoisotopic Mass360.05686342
Topological Polar Surface Area122 Ų
Heavy Atom Count26
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3963-5.1A-769662
254476-01A 769662

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