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138886-63-2 | 4-Hexynal, 6-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 138886-63-2 Catalog No: AG0019R6 MDL No:
Product Description
Catalog Number:
AG0019R6
Chemical Name:
4-Hexynal, 6-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
138886-63-2
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
6-(oxan-2-yloxy)hex-4-ynal
InChI:
InChI=1S/C11H16O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h8,11H,1,3-4,6-7,9-10H2
InChI Key:
FMTSLBRTJWSREI-UHFFFAOYSA-N
SMILES:
O=CCCC#CCOC1CCCCO1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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