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87594-64-7 | 1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-
CAS No: 87594-64-7 Catalog No: AG004M4B MDL No:
Product Description
Catalog Number:
AG004M4B
Chemical Name:
1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-
CAS Number:
87594-64-7
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
5-morpholin-4-yl-1-phenylpent-1-en-3-one
InChI:
InChI=1S/C15H19NO2/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16/h1-7H,8-13H2
InChI Key:
GBODZDQQWLZBRS-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccccc1)CCN1CCOCC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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