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87994-92-1 | 1,3,5,7,9-Decanepentone, 1-phenyl-
CAS No: 87994-92-1 Catalog No: AG004H9I MDL No:
Product Description
Catalog Number:
AG004H9I
Chemical Name:
1,3,5,7,9-Decanepentone, 1-phenyl-
CAS Number:
87994-92-1
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
1-phenyldecane-1,3,5,7,9-pentone
InChI:
InChI=1S/C16H16O5/c1-11(17)7-13(18)8-14(19)9-15(20)10-16(21)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChI Key:
MQGJMVHUXBMLGH-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1)CC(=O)CC(=O)CC(=O)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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