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2875-26-5 | 1-Propanone, 3-hydroxy-1-(2-hydroxyphenyl)-3-(4-pyridinyl)-
CAS No: 2875-26-5 Catalog No: AG002WCU MDL No:
Product Description
Catalog Number:
AG002WCU
Chemical Name:
1-Propanone, 3-hydroxy-1-(2-hydroxyphenyl)-3-(4-pyridinyl)-
CAS Number:
2875-26-5
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one
InChI:
InChI=1S/C14H13NO3/c16-12-4-2-1-3-11(12)14(18)9-13(17)10-5-7-15-8-6-10/h1-8,13,16-17H,9H2
InChI Key:
JIBFZVZYHKPKKW-UHFFFAOYSA-N
SMILES:
OC(c1ccncc1)CC(=O)c1ccccc1O
NSC Number:
50392
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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