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36587-79-8

36587-79-8 | 5-Hydroxy-2,5-dimethyl-3-hexanone

CAS No: 36587-79-8 Catalog No: AG0037Y0 MDL No:

Product Description

Catalog Number:
AG0037Y0
Chemical Name:
5-Hydroxy-2,5-dimethyl-3-hexanone
CAS Number:
36587-79-8
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
5-hydroxy-2,5-dimethylhexan-3-one
InChI:
InChI=1S/C8H16O2/c1-6(2)7(9)5-8(3,4)10/h6,10H,5H2,1-4H3
InChI Key:
BZTRLOJUDTVVMK-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)CC(O)(C)C

Properties

Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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