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Home > Pyridines > 866050-09-1
866050-09-1 | 6-(2,3-dihydro-1H-inden-5-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS No: 866050-09-1 Catalog No: AG00IRNP MDL No:MFCD03787574
Product Description
Catalog Number:
AG00IRNP
Chemical Name:
6-(2,3-dihydro-1H-inden-5-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS Number:
866050-09-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD03787574
IUPAC Name:
3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C13H14N2O/c16-13-7-6-12(14-15-13)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,15,16)
InChI Key:
JRQQEWWQIYWXNI-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc2c(c1)CCC2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
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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