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Home > Pyridines > 1172358-19-8
1172358-19-8 | 6-(4-methoxybenzyl)-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
CAS No: 1172358-19-8 Catalog No: AG00J5A4 MDL No:MFCD14281892
Product Description
Catalog Number:
AG00J5A4
Chemical Name:
6-(4-methoxybenzyl)-5,7-dimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one
CAS Number:
1172358-19-8
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
MDL Number:
MFCD14281892
IUPAC Name:
6-[(4-methoxyphenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
InChI:
InChI=1S/C16H17N3O2/c1-10-14-8-17-18-16(20)15(14)11(2)19(10)9-12-4-6-13(21-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,20)
InChI Key:
JDWFQGLEEZDTBE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c(C)c2c(c1C)c(=O)[nH]nc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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