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14774-36-8 | 2H-Pyran-3-methanol, tetrahydro-
CAS No: 14774-36-8 Catalog No: AG001F5L MDL No:MFCD08235011
Product Description
Catalog Number:
AG001F5L
Chemical Name:
2H-Pyran-3-methanol, tetrahydro-
CAS Number:
14774-36-8
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD08235011
IUPAC Name:
oxan-3-ylmethanol
InChI:
InChI=1S/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2
InChI Key:
VFTQJKSRDCKVQA-UHFFFAOYSA-N
SMILES:
OCC1CCCOC1
EC Number:
238-841-2
Properties
Complexity:
63.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Pathways and populations: stereoelectronic insights into the exocyclic torsion of 5-(hydroxymethyl)tetrahydropyran. | Journal of the American Chemical Society 20080521 |
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