Home Other Building Blocks 3-methyloxan-3-ol

3-methyloxan-3-ol

CAS No.:
35906-74-2
Catalog Number:
AG019ZO3
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG019ZO3
Chemical Name:
3-methyloxan-3-ol
CAS Number:
35906-74-2
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD19670493
IUPAC Name:
3-methyloxan-3-ol
InChI:
InChI=1S/C6H12O2/c1-6(7)3-2-4-8-5-6/h7H,2-5H2,1H3
InChI Key:
JUQXHRNZEMUHEI-UHFFFAOYSA-N
SMILES:
CC1(O)CCCOC1
Properties
Complexity:
82.6  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties