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Home > Pyridines > 620545-84-8
620545-84-8 | 6-hydroxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-3-one
CAS No: 620545-84-8 Catalog No: AG019MIW MDL No:MFCD06292060
Product Description
Catalog Number:
AG019MIW
Chemical Name:
6-hydroxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-3-one
CAS Number:
620545-84-8
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
MDL Number:
MFCD06292060
IUPAC Name:
(2E)-6-hydroxy-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
InChI:
InChI=1S/C14H9NO3/c16-10-3-4-11-12(7-10)18-13(14(11)17)6-9-2-1-5-15-8-9/h1-8,16H/b13-6+
InChI Key:
COMFMRLAYLUJAZ-AWNIVKPZSA-N
SMILES:
Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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