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3034-16-0 | 4H-1-Benzopyran-4-one, 2-(4-pyridinyl)-
CAS No: 3034-16-0 Catalog No: AG002ZSP MDL No:MFCD00498484
Product Description
Catalog Number:
AG002ZSP
Chemical Name:
4H-1-Benzopyran-4-one, 2-(4-pyridinyl)-
CAS Number:
3034-16-0
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD00498484
IUPAC Name:
2-pyridin-4-ylchromen-4-one
InChI:
InChI=1S/C14H9NO2/c16-12-9-14(10-5-7-15-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H
InChI Key:
WTKMIKUCGVSMDD-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1cccc2)c1ccncc1
NSC Number:
51348
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microwave-assisted synthesis of 4'-azaflavones and their N-alkyl derivatives with biological activities. | Chemistry & biodiversity 20080501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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