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Home > Other Building Blocks > 89567-17-9
89567-17-9 | 2H-Pyran-3(6H)-one, 2-(4-hexynyl)-6-hydroxy-
CAS No: 89567-17-9 Catalog No: AG003ZBN MDL No:
Product Description
Catalog Number:
AG003ZBN
Chemical Name:
2H-Pyran-3(6H)-one, 2-(4-hexynyl)-6-hydroxy-
CAS Number:
89567-17-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
6-hex-4-ynyl-2-hydroxy-2H-pyran-5-one
InChI:
InChI=1S/C11H14O3/c1-2-3-4-5-6-10-9(12)7-8-11(13)14-10/h7-8,10-11,13H,4-6H2,1H3
InChI Key:
KHWXVRKZEPCJFN-UHFFFAOYSA-N
SMILES:
CC#CCCCC1OC(O)C=CC1=O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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