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84379-51-1 | 1,2,4-Butanetriol,3-(phenylmethoxy)-, (2S,3S)-
CAS No: 84379-51-1 Catalog No: AG0055RW MDL No:
Product Description
Catalog Number:
AG0055RW
Chemical Name:
1,2,4-Butanetriol,3-(phenylmethoxy)-, (2S,3S)-
CAS Number:
84379-51-1
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
InChI:
InChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m0/s1
InChI Key:
YYGZBCNOJHZTGA-QWRGUYRKSA-N
SMILES:
OCC(C(CO)O)OCc1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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