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Home > Pyridines > 1156362-84-3
1156362-84-3 | 6-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-pyridazin-3(2H)-one
CAS No: 1156362-84-3 Catalog No: AG00HD19 MDL No:MFCD12078674
Product Description
Catalog Number:
AG00HD19
Chemical Name:
6-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-pyridazin-3(2H)-one
CAS Number:
1156362-84-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD12078674
IUPAC Name:
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one
InChI:
InChI=1S/C13H12N2O3/c16-13-5-3-10(14-15-13)9-2-4-11-12(8-9)18-7-1-6-17-11/h2-5,8H,1,6-7H2,(H,15,16)
InChI Key:
RVMURJQGOYVPNA-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)c1ccc2c(c1)OCCCO2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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