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89334-24-7 | 2,4,6-Cycloheptatrien-1-one, 2-acetyl-7-[[2-(methylamino)ethyl]amino]-
CAS No: 89334-24-7 Catalog No: AG003ZEZ MDL No:
Product Description
Catalog Number:
AG003ZEZ
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-acetyl-7-[[2-(methylamino)ethyl]amino]-
CAS Number:
89334-24-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
2-acetyl-7-[2-(methylamino)ethylamino]cyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C12H16N2O2/c1-9(15)10-5-3-4-6-11(12(10)16)14-8-7-13-2/h3-6,13H,7-8H2,1-2H3,(H,14,16)
InChI Key:
ZBSRETWIBWOADY-UHFFFAOYSA-N
SMILES:
CNCCNc1ccccc(c1=O)C(=O)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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