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884504-34-1 | 3-(1,3-DIOXAN-2-YL)-4'-PENTYLPROPIOPHENONE
CAS No: 884504-34-1 Catalog No: AG004EIR MDL No:
Product Description
Catalog Number:
AG004EIR
Chemical Name:
3-(1,3-DIOXAN-2-YL)-4'-PENTYLPROPIOPHENONE
CAS Number:
884504-34-1
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(4-pentylphenyl)propan-1-one
InChI:
InChI=1S/C18H26O3/c1-2-3-4-6-15-7-9-16(10-8-15)17(19)11-12-18-20-13-5-14-21-18/h7-10,18H,2-6,11-14H2,1H3
InChI Key:
XNMUWNLUXFLKCA-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)CCC1OCCCO1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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