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122798-27-0 | 1,2-Ethanediol, 1,2-bis(4-methoxyphenyl)-, (1S,2S)-
CAS No: 122798-27-0 Catalog No: AG000JHN MDL No:
Product Description
Catalog Number:
AG000JHN
Chemical Name:
1,2-Ethanediol, 1,2-bis(4-methoxyphenyl)-, (1S,2S)-
CAS Number:
122798-27-0
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
(1S,2S)-1,2-bis(4-methoxyphenyl)ethane-1,2-diol
InChI:
InChI=1S/C16H18O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-18H,1-2H3/t15-,16-/m0/s1
InChI Key:
RKRWHUXXTPLPAL-HOTGVXAUSA-N
SMILES:
COc1ccc(cc1)[C@@H]([C@H](c1ccc(cc1)OC)O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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