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884504-36-3 | 3-(1,3-DIOXAN-2-YL)-4'-PHENOXYPROPIOPHENONE
CAS No: 884504-36-3 Catalog No: AG004JJ6 MDL No:
Product Description
Catalog Number:
AG004JJ6
Chemical Name:
3-(1,3-DIOXAN-2-YL)-4'-PHENOXYPROPIOPHENONE
CAS Number:
884504-36-3
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(4-phenoxyphenyl)propan-1-one
InChI:
InChI=1S/C19H20O4/c20-18(11-12-19-21-13-4-14-22-19)15-7-9-17(10-8-15)23-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-14H2
InChI Key:
MXYMZXRKNVAAJC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccccc1)CCC1OCCCO1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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