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N-(2-Acetamido)iminodiacetic acid supplier N-(2-Acetamido)iminodiacetic acid China N-(2-Acetamido)iminodiacetic acid 99%
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1. Properties of N-(2-Acetamido)iminodiacetic acid
Molecular Weight 190.154 [g/mol]
Molecular Formula C6H10N2O5
XLogP3-AA -3.9
H-Bond Donor 3
H-Bond Acceptor 6
Rotatable Bond Count 6
Tautomer Count 3
Exact Mass 190.058971
MonoIsotopic Mass 190.058971
Topological Polar Surface Area 121
Heavy Atom Count 13
Complexity 211
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 5
Feature 3D Donor Count 1
Feature 3D Anion Count 2
Feature 3D Cation Count 1
Effective Rotor Count 6
Conformer Sampling RMSD 0.6
CID Conformer Count 27
2. Structure descriptors of N-(2-Acetamido)iminodiacetic acid
IUPAC Name: 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
InChI: InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,
11)(H,12,13)
InChIKey: QZTKDVCDBIDYMD-UHFFFAOYSA-N
Canonical SMILES : C(C(=O)N)N(CC(=O)O)CC(=O)O
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