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848564-57-8 | 1-Penten-3-one, 5-(3-butynyloxy)-1-phenyl-, (1E)-
CAS No: 848564-57-8 Catalog No: AG004MPH MDL No:
Product Description
Catalog Number:
AG004MPH
Chemical Name:
1-Penten-3-one, 5-(3-butynyloxy)-1-phenyl-, (1E)-
CAS Number:
848564-57-8
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
5-but-3-ynoxy-1-phenylpent-1-en-3-one
InChI:
InChI=1S/C15H16O2/c1-2-3-12-17-13-11-15(16)10-9-14-7-5-4-6-8-14/h1,4-10H,3,11-13H2
InChI Key:
VZNMBONYKIJOOP-UHFFFAOYSA-N
SMILES:
C#CCCOCCC(=O)/C=C/c1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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