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143689-90-1 | 3-Butyn-2-one, 1-(tetrahydro-6-pentyl-2H-pyran-2-ylidene)-, (E)- (9CI)
CAS No: 143689-90-1 Catalog No: AG001I6A MDL No:
Product Description
Catalog Number:
AG001I6A
Chemical Name:
3-Butyn-2-one, 1-(tetrahydro-6-pentyl-2H-pyran-2-ylidene)-, (E)- (9CI)
CAS Number:
143689-90-1
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
1-(6-pentyloxan-2-ylidene)but-3-yn-2-one
InChI:
InChI=1S/C14H20O2/c1-3-5-6-8-13-9-7-10-14(16-13)11-12(15)4-2/h2,11,13H,3,5-10H2,1H3
InChI Key:
SODAWQYBFIAKRW-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC/C(=C\C(=O)C#C)/O1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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