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113727-38-1 | 2H-Pyran, 2-[(1-ethynyl-2,4-heptadien-1-yl)oxy]tetrahydro-
CAS No: 113727-38-1 Catalog No: AG0009HF MDL No:
Product Description
Catalog Number:
AG0009HF
Chemical Name:
2H-Pyran, 2-[(1-ethynyl-2,4-heptadien-1-yl)oxy]tetrahydro-
CAS Number:
113727-38-1
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2-nona-4,6-dien-1-yn-3-yloxyoxane
InChI:
InChI=1S/C14H20O2/c1-3-5-6-7-10-13(4-2)16-14-11-8-9-12-15-14/h2,5-7,10,13-14H,3,8-9,11-12H2,1H3
InChI Key:
ZGLXTEQUVCWHRM-UHFFFAOYSA-N
SMILES:
CCC=CC=CC(OC1CCCCO1)C#C
Properties
Complexity:
282
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:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
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