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84560-01-0 | 8-HYDROXY-2,6-DIMETHYLOCTAN-3-ONE
CAS No: 84560-01-0 Catalog No: AG004UQ8 MDL No:
Product Description
Catalog Number:
AG004UQ8
Chemical Name:
8-HYDROXY-2,6-DIMETHYLOCTAN-3-ONE
CAS Number:
84560-01-0
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
8-hydroxy-2,6-dimethyloctan-3-one
InChI:
InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-9,11H,4-7H2,1-3H3
InChI Key:
DCMADGNDUAGIQQ-UHFFFAOYSA-N
SMILES:
OCCC(CCC(=O)C(C)C)C
EC Number:
283-188-9
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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