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158069-80-8 | Glycine, N,N'-1,2-ethanediylbis[N-[(3-hydroxyphenyl)methyl]- (9CI)
CAS No: 158069-80-8 Catalog No: AG001PYW MDL No:
Product Description
Catalog Number:
AG001PYW
Chemical Name:
Glycine, N,N'-1,2-ethanediylbis[N-[(3-hydroxyphenyl)methyl]- (9CI)
CAS Number:
158069-80-8
Molecular Formula:
C20H24N2O6
Molecular Weight:
388.4144
IUPAC Name:
2-[2-[carboxymethyl-[(3-hydroxyphenyl)methyl]amino]ethyl-[(3-hydroxyphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C20H24N2O6/c23-17-5-1-3-15(9-17)11-21(13-19(25)26)7-8-22(14-20(27)28)12-16-4-2-6-18(24)10-16/h1-6,9-10,23-24H,7-8,11-14H2,(H,25,26)(H,27,28)
InChI Key:
ZHGOPACZRAHHMQ-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1cccc(c1)O)CCN(Cc1cccc(c1)O)CC(=O)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
388.42g/mol
Monoisotopic Mass:
388.163g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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