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119710-96-2 | Propanoic acid, 3-[bis(carboxymethyl)amino]-2-hydroxy-, sodium salt (1:3)
CAS No: 119710-96-2 Catalog No: AG000PII MDL No:
Product Description
Catalog Number:
AG000PII
Chemical Name:
Propanoic acid, 3-[bis(carboxymethyl)amino]-2-hydroxy-, sodium salt (1:3)
CAS Number:
119710-96-2
Molecular Formula:
C7H10NNa3O7++
Molecular Weight:
289.1261
IUPAC Name:
trisodium;3-[bis(carboxymethyl)amino]-2-hydroxypropanoate
InChI:
InChI=1S/3C7H11NO7.3Na/c3*9-4(7(14)15)1-8(2-5(10)11)3-6(12)13;;;/h3*4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15);;;/q;;;3*+1/p-3
InChI Key:
RKAIJHDKTPIOMV-UHFFFAOYSA-K
SMILES:
OC(=O)CN(CC(C(=O)[O-])O)CC(=O)O.[Na+].[Na+].[Na+]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
729.106g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
24
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
729.44g/mol
Monoisotopic Mass:
729.106g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
415A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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