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15931-64-3 | Phosphonium, (2-carboxyethyl)tris(hydroxymethyl)-, inner salt
CAS No: 15931-64-3 Catalog No: AG001QM0 MDL No:
Product Description
Catalog Number:
AG001QM0
Chemical Name:
Phosphonium, (2-carboxyethyl)tris(hydroxymethyl)-, inner salt
CAS Number:
15931-64-3
Molecular Formula:
C6H13O5P
Molecular Weight:
196.1382
IUPAC Name:
3-[tris(hydroxymethyl)phosphaniumyl]propanoate
InChI:
InChI=1S/C6H13O5P/c7-3-12(4-8,5-9)2-1-6(10)11/h7-9H,1-5H2
InChI Key:
AWJWHBODZRSWCK-UHFFFAOYSA-N
SMILES:
OC[P+](CCC(=O)[O-])(CO)CO
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.139g/mol
Monoisotopic Mass:
196.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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