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826994-54-1 | 2-Nonyn-4-one, 7-hydroxy-1-(phenylmethoxy)-
CAS No: 826994-54-1 Catalog No: AG0051VM MDL No:
Product Description
Catalog Number:
AG0051VM
Chemical Name:
2-Nonyn-4-one, 7-hydroxy-1-(phenylmethoxy)-
CAS Number:
826994-54-1
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
7-hydroxy-1-phenylmethoxynon-2-yn-4-one
InChI:
InChI=1S/C16H20O3/c1-2-15(17)10-11-16(18)9-6-12-19-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,10-13H2,1H3
InChI Key:
SGLOXCVQDVFWOD-UHFFFAOYSA-N
SMILES:
CCC(CCC(=O)C#CCOCc1ccccc1)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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