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88074-22-0 | 3-Penten-2-one, 4-[[4-(dimethylamino)phenyl]amino]-, (Z)-
CAS No: 88074-22-0 Catalog No: AG004HPY MDL No:
Product Description
Catalog Number:
AG004HPY
Chemical Name:
3-Penten-2-one, 4-[[4-(dimethylamino)phenyl]amino]-, (Z)-
CAS Number:
88074-22-0
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
4-[4-(dimethylamino)anilino]pent-3-en-2-one
InChI:
InChI=1S/C13H18N2O/c1-10(9-11(2)16)14-12-5-7-13(8-6-12)15(3)4/h5-9,14H,1-4H3
InChI Key:
XHOBRAGAQDUEJP-UHFFFAOYSA-N
SMILES:
C/C(=C/C(=O)C)/Nc1ccc(cc1)N(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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