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909294-15-1 | 2,3-Hexanediol, 6-(phenylmethoxy)-, (2R,3S)-
CAS No: 909294-15-1 Catalog No: AG006GF6 MDL No:
Product Description
Catalog Number:
AG006GF6
Chemical Name:
2,3-Hexanediol, 6-(phenylmethoxy)-, (2R,3S)-
CAS Number:
909294-15-1
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
(2R,3S)-6-phenylmethoxyhexane-2,3-diol
InChI:
InChI=1S/C13H20O3/c1-11(14)13(15)8-5-9-16-10-12-6-3-2-4-7-12/h2-4,6-7,11,13-15H,5,8-10H2,1H3/t11-,13+/m1/s1
InChI Key:
DFVIWPLFSQHCHX-YPMHNXCESA-N
SMILES:
C[C@H]([C@H](CCCOCc1ccccc1)O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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