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116527-98-1

116527-98-1 | Phenol, 4-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2,5-dimethoxy-

CAS No: 116527-98-1 Catalog No: AG000CPQ MDL No:

Product Description

Catalog Number:
AG000CPQ
Chemical Name:
Phenol, 4-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2,5-dimethoxy-
CAS Number:
116527-98-1
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
IUPAC Name:
4-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2,5-dimethoxyphenol
InChI:
InChI=1S/C17H21NO4/c1-21-16-10-15(20)17(22-2)9-13(16)11-18-8-7-12-3-5-14(19)6-4-12/h3-6,9-10,18-20H,7-8,11H2,1-2H3
InChI Key:
ZTZUSRAMXGUJES-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(cc1CNCCc1ccc(cc1)O)OC

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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