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102273-61-0 | 3-Hexanone, 5-hydroxy-, (5S)-
CAS No: 102273-61-0 Catalog No: AG00072V MDL No:
Product Description
Catalog Number:
AG00072V
Chemical Name:
3-Hexanone, 5-hydroxy-, (5S)-
CAS Number:
102273-61-0
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
(5S)-5-hydroxyhexan-3-one
InChI:
InChI=1S/C6H12O2/c1-3-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:
XHYXKWWFNRBCGE-YFKPBYRVSA-N
SMILES:
CCC(=O)C[C@@H](O)C
Properties
Complexity:
78.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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