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7525-64-6

7525-64-6 | 4-Methyltetrahydro-2H-pyran-4-ol

CAS No: 7525-64-6 Catalog No: AG0038GS MDL No:MFCD13193576

Product Description

Catalog Number:
AG0038GS
Chemical Name:
4-Methyltetrahydro-2H-pyran-4-ol
CAS Number:
7525-64-6
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD13193576
IUPAC Name:
4-methyloxan-4-ol
InChI:
InChI=1S/C6H12O2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3
InChI Key:
DCUYGCJQVJXUHU-UHFFFAOYSA-N
SMILES:
CC1(O)CCOCC1
EC Number:
925-044-6

Properties

Complexity:
74.6  
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:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Literature

Title Journal
2-Cyclo-hexyl-4-methyl-tetra-hydro-pyran-4-ol. Acta crystallographica. Section E, Structure reports online 20100501

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