3-(3-chloro-2-hydroxypropoxy)propane-1,2-diol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol


Chemical Name: 3-(3-chloro-2-hydroxypropoxy)propane-1,2-diol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 227947-06-0
Product Number: AG00C16A(AGN-PC-0JEKDB)
Synonyms:
MDL No:
Molecular Formula: C21H27ClO5
Molecular Weight: 394.8891

Identification/Properties


Computed Properties
Molecular Weight:
394.892g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
10
Exact Mass:
394.155g/mol
Monoisotopic Mass:
394.155g/mol
Topological Polar Surface Area:
79.2A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
403
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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