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Home > Pyridines > 652138-05-1
652138-05-1 | 4H-1-Benzopyran-4-one, 2-(4-pyridinyl)-6-(3-thienyl)-
CAS No: 652138-05-1 Catalog No: AG00H6ZT MDL No:
Product Description
Catalog Number:
AG00H6ZT
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-pyridinyl)-6-(3-thienyl)-
CAS Number:
652138-05-1
Molecular Formula:
C18H11NO2S
Molecular Weight:
305.3504
IUPAC Name:
2-pyridin-4-yl-6-thiophen-3-ylchromen-4-one
InChI:
InChI=1S/C18H11NO2S/c20-16-10-18(12-3-6-19-7-4-12)21-17-2-1-13(9-15(16)17)14-5-8-22-11-14/h1-11H
InChI Key:
SURCLVDERZXKOO-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1cc(cc2)c1cscc1)c1ccncc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.351g/mol
Monoisotopic Mass:
305.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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