Home Other Building Blocks 2-hydroxy-5-methoxyhexan-3-one

2-hydroxy-5-methoxyhexan-3-one

CAS No.:
101080-34-6
Catalog Number:
AG01B8VR
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
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Product Description
Catalog Number:
AG01B8VR
Chemical Name:
2-hydroxy-5-methoxyhexan-3-one
CAS Number:
101080-34-6
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD24699639
IUPAC Name:
2-hydroxy-5-methoxyhexan-3-one
InChI:
InChI=1S/C7H14O3/c1-5(10-3)4-7(9)6(2)8/h5-6,8H,4H2,1-3H3
InChI Key:
QWDVVJSZKNALGC-UHFFFAOYSA-N
SMILES:
COC(CC(=O)C(O)C)C
Properties
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties