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863012-85-5 | 1,2-PROPANEDIOL, 3-(2-ETHOXYPHENOXY)-3-PHENYL-, (2S,3R)-
CAS No: 863012-85-5 Catalog No: AG004MRR MDL No:
Product Description
Catalog Number:
AG004MRR
Chemical Name:
1,2-PROPANEDIOL, 3-(2-ETHOXYPHENOXY)-3-PHENYL-, (2S,3R)-
CAS Number:
863012-85-5
Molecular Formula:
C17H20O4
Molecular Weight:
288.3383
IUPAC Name:
(2S,3R)-3-(2-ethoxyphenoxy)-3-phenylpropane-1,2-diol
InChI:
InChI=1S/C17H20O4/c1-2-20-15-10-6-7-11-16(15)21-17(14(19)12-18)13-8-4-3-5-9-13/h3-11,14,17-19H,2,12H2,1H3/t14-,17+/m0/s1
InChI Key:
XSHMFDVTMXNQSJ-WMLDXEAASA-N
SMILES:
CCOc1ccccc1O[C@H](c1ccccc1)[C@H](CO)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
288.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.343g/mol
Monoisotopic Mass:
288.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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