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70580-01-7 | Phenol,4-[2-[[2-hydroxy-3-[2-(2-propen-1-yl)phenoxy]propyl]amino]ethyl]-
CAS No: 70580-01-7 Catalog No: AG005HR5 MDL No:
Product Description
Catalog Number:
AG005HR5
Chemical Name:
Phenol,4-[2-[[2-hydroxy-3-[2-(2-propen-1-yl)phenoxy]propyl]amino]ethyl]-
CAS Number:
70580-01-7
Molecular Formula:
C20H25NO3
Molecular Weight:
327.4174
IUPAC Name:
4-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]ethyl]phenol
InChI:
InChI=1S/C20H25NO3/c1-2-5-17-6-3-4-7-20(17)24-15-19(23)14-21-13-12-16-8-10-18(22)11-9-16/h2-4,6-11,19,21-23H,1,5,12-15H2
InChI Key:
AMCYDDULFHKKTK-UHFFFAOYSA-N
SMILES:
C=CCc1ccccc1OCC(CNCCc1ccc(cc1)O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.424g/mol
Monoisotopic Mass:
327.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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