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126736-75-2 | Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-[2-[bis(carboxymethyl)amino]phenyl]-
CAS No: 126736-75-2 Catalog No: AG000T5O MDL No:
Product Description
Catalog Number:
AG000T5O
Chemical Name:
Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-[2-[bis(carboxymethyl)amino]phenyl]-
CAS Number:
126736-75-2
Molecular Formula:
C18H23N3O10
Molecular Weight:
441.3893
IUPAC Name:
2-[2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]ethyl-(carboxymethyl)amino]acetic acid
InChI:
InChI=1S/C18H23N3O10/c22-14(23)7-19(8-15(24)25)5-6-20(9-16(26)27)12-3-1-2-4-13(12)21(10-17(28)29)11-18(30)31/h1-4H,5-11H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)
InChI Key:
FZOMSGHPGOZGKU-UHFFFAOYSA-N
SMILES:
OC(=O)CN(CC(=O)O)CCN(c1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.138g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
441.393g/mol
Monoisotopic Mass:
441.138g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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