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65047-18-9 | Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-pyridinyl)-
CAS No: 65047-18-9 Catalog No: AG00H6AL MDL No:
Product Description
Catalog Number:
AG00H6AL
Chemical Name:
Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-pyridinyl)-
CAS Number:
65047-18-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone
InChI:
InChI=1S/C13H11NO3/c15-10-4-5-11(13(17)8-10)12(16)7-9-3-1-2-6-14-9/h1-6,8,15,17H,7H2
InChI Key:
VUQBDXYELPPNIE-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)Cc1ccccn1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 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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