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83516-67-0 | 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridazin-3-ol
CAS No: 83516-67-0 Catalog No: AG00IN0U MDL No:MFCD00793268
Product Description
Catalog Number:
AG00IN0U
Chemical Name:
6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridazin-3-ol
CAS Number:
83516-67-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD00793268
IUPAC Name:
3-[2-(4-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
InChI:
InChI=1S/C13H12N2O2/c1-17-12-7-3-10(4-8-12)2-5-11-6-9-13(16)15-14-11/h2-9H,1H3,(H,15,16)
InChI Key:
UVMVSZYSDAZBBI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/c1ccc(nn1)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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