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132789-35-6 | 4-Pentyn-2-ol, 5-(tetrahydro-2-methoxy-2H-pyran-2-yl)-
CAS No: 132789-35-6 Catalog No: AG00116E MDL No:
Product Description
Catalog Number:
AG00116E
Chemical Name:
4-Pentyn-2-ol, 5-(tetrahydro-2-methoxy-2H-pyran-2-yl)-
CAS Number:
132789-35-6
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
5-(2-methoxyoxan-2-yl)pent-4-yn-2-ol
InChI:
InChI=1S/C11H18O3/c1-10(12)6-5-8-11(13-2)7-3-4-9-14-11/h10,12H,3-4,6-7,9H2,1-2H3
InChI Key:
GVSCVOPRFWIBLL-UHFFFAOYSA-N
SMILES:
COC1(CCCCO1)C#CCC(O)C
Properties
Complexity:
237
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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