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117027-28-8 | 3(2H)-Pyridazinone, 2-[2-(dimethylamino)ethyl]-4,5-dihydro-6-methyl-5-(phenylmethylene)-
CAS No: 117027-28-8 Catalog No: AG000DLB MDL No:
Product Description
Catalog Number:
AG000DLB
Chemical Name:
3(2H)-Pyridazinone, 2-[2-(dimethylamino)ethyl]-4,5-dihydro-6-methyl-5-(phenylmethylene)-
CAS Number:
117027-28-8
Molecular Formula:
C16H21N3O
Molecular Weight:
271.3574
IUPAC Name:
5-benzylidene-2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one
InChI:
InChI=1S/C16H21N3O/c1-13-15(11-14-7-5-4-6-8-14)12-16(20)19(17-13)10-9-18(2)3/h4-8,11H,9-10,12H2,1-3H3
InChI Key:
MJLRNZWUIWIHKX-UHFFFAOYSA-N
SMILES:
CN(CCN1N=C(C)C(=Cc2ccccc2)CC1=O)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.364g/mol
Monoisotopic Mass:
271.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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