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116779-98-7 | 2-Hexanol, 2-acetate, (2S)-
CAS No: 116779-98-7 Catalog No: AG000D8D MDL No:
Product Description
Catalog Number:
AG000D8D
Chemical Name:
2-Hexanol, 2-acetate, (2S)-
CAS Number:
116779-98-7
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
acetic acid;hexan-2-ol
InChI:
InChI=1S/C6H14O.C2H4O2/c1-3-4-5-6(2)7;1-2(3)4/h6-7H,3-5H2,1-2H3;1H3,(H,3,4)
InChI Key:
IISAQRUSKPGGHY-UHFFFAOYSA-N
SMILES:
CCCC[C@@H](OC(=O)C)C
Properties
Complexity:
66.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.229g/mol
Monoisotopic Mass:
162.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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