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122951-71-7 | 2,7-Nonadiyn-5-ol, 1,9-bis[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 122951-71-7 Catalog No: AG000JU0 MDL No:
Product Description
Catalog Number:
AG000JU0
Chemical Name:
2,7-Nonadiyn-5-ol, 1,9-bis[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
122951-71-7
Molecular Formula:
C19H28O5
Molecular Weight:
336.4226
IUPAC Name:
1,9-bis(oxan-2-yloxy)nona-2,7-diyn-5-ol
InChI:
InChI=1S/C19H28O5/c20-17(9-1-5-13-21-18-11-3-7-15-23-18)10-2-6-14-22-19-12-4-8-16-24-19/h17-20H,3-4,7-16H2
InChI Key:
COAXRJHVPKBMJS-UHFFFAOYSA-N
SMILES:
OC(CC#CCOC1CCCCO1)CC#CCOC1CCCCO1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.428g/mol
Monoisotopic Mass:
336.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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