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Home > Pyridines > 338753-01-8
338753-01-8 | 6-[(4-methoxyphenyl)methyl]pyridazin-3-ol
CAS No: 338753-01-8 Catalog No: AG00IU83 MDL No:MFCD00140698
Product Description
Catalog Number:
AG00IU83
Chemical Name:
6-[(4-methoxyphenyl)methyl]pyridazin-3-ol
CAS Number:
338753-01-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD00140698
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O2/c1-16-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13-10/h2-7H,8H2,1H3,(H,14,15)
InChI Key:
ZLIRFNNEVHTRBN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1ccc(nn1)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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