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144705-36-2 | Phosphinecarboxylic acid, 1-(2-carboxy-2-oxoethyl)-1-hydroxy-, 1-oxide, sodium salt (1:3)
CAS No: 144705-36-2 Catalog No: AG001K1O MDL No:
Product Description
Catalog Number:
AG001K1O
Chemical Name:
Phosphinecarboxylic acid, 1-(2-carboxy-2-oxoethyl)-1-hydroxy-, 1-oxide, sodium salt (1:3)
CAS Number:
144705-36-2
Molecular Formula:
C4H5O5P
Molecular Weight:
164.0533
IUPAC Name:
3-carboxyphosphanyl-2-oxopropanoic acid
InChI:
InChI=1S/C4H5O5P/c5-2(3(6)7)1-10-4(8)9/h10H,1H2,(H,6,7)(H,8,9)
InChI Key:
RZHDPLMXZJWTIO-UHFFFAOYSA-N
SMILES:
OC(=O)PCC(=O)C(=O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.987g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.053g/mol
Monoisotopic Mass:
163.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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