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70247-79-9 | 6-(3-hydroxy-2,2-dimethyl-propoxy)-6-oxo-hexanoic acid
CAS No: 70247-79-9 Catalog No: AG005KFY MDL No:
Product Description
Catalog Number:
AG005KFY
Chemical Name:
6-(3-hydroxy-2,2-dimethyl-propoxy)-6-oxo-hexanoic acid
CAS Number:
70247-79-9
Molecular Formula:
C11H20O5
Molecular Weight:
232.2735
IUPAC Name:
6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid
InChI:
InChI=1S/C11H20O5/c1-11(2,7-12)8-16-10(15)6-4-3-5-9(13)14/h12H,3-8H2,1-2H3,(H,13,14)
InChI Key:
UEGQJTSGVSBXCN-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)CCCCC(=O)O)(C)C
EC Number:
615-089-7
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.276g/mol
Monoisotopic Mass:
232.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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