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14092-32-1 | 3-Pentyn-2-ol, 2-methyl-5-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 14092-32-1 Catalog No: AG0009HG MDL No:
Product Description
Catalog Number:
AG0009HG
Chemical Name:
3-Pentyn-2-ol, 2-methyl-5-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
14092-32-1
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
2-methyl-5-(oxan-2-yloxy)pent-3-yn-2-ol
InChI:
InChI=1S/C11H18O3/c1-11(2,12)7-5-9-14-10-6-3-4-8-13-10/h10,12H,3-4,6,8-9H2,1-2H3
InChI Key:
KDECUQAVSGKEMI-UHFFFAOYSA-N
SMILES:
CC(C#CCOC1CCCCO1)(O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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