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141726-24-1 | 7-Nonyne-1,3-dione, 1-phenyl-
CAS No: 141726-24-1 Catalog No: AG001GXO MDL No:
Product Description
Catalog Number:
AG001GXO
Chemical Name:
7-Nonyne-1,3-dione, 1-phenyl-
CAS Number:
141726-24-1
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
1-phenylnon-7-yne-1,3-dione
InChI:
InChI=1S/C15H16O2/c1-2-3-4-8-11-14(16)12-15(17)13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1H3
InChI Key:
RIKBGNGLCGCHBN-UHFFFAOYSA-N
SMILES:
CC#CCCCC(=O)CC(=O)c1ccccc1
Properties
Complexity:
323
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:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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