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6958-54-9 | 3-(Benzyloxy)-6-methylpyridazine
CAS No: 6958-54-9 Catalog No: AG003I6G MDL No:MFCD16036159
Product Description
Catalog Number:
AG003I6G
Chemical Name:
3-(Benzyloxy)-6-methylpyridazine
CAS Number:
6958-54-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD16036159
IUPAC Name:
3-methyl-6-phenylmethoxypyridazine
InChI:
InChI=1S/C12H12N2O/c1-10-7-8-12(14-13-10)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
KTZFXIGWMRGKRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(nn1)OCc1ccccc1
NSC Number:
64795
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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