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1898-63-1 | Phosphonic acid, P,P'-[[[2-[(phosphonomethyl)amino]ethyl]imino]bis(methylene)]bis-
CAS No: 1898-63-1 Catalog No: AG002DZD MDL No:
Product Description
Catalog Number:
AG002DZD
Chemical Name:
Phosphonic acid, P,P'-[[[2-[(phosphonomethyl)amino]ethyl]imino]bis(methylene)]bis-
CAS Number:
1898-63-1
Molecular Formula:
C5H17N2O9P3
Molecular Weight:
342.1178
IUPAC Name:
[2-[bis(phosphonomethyl)amino]ethylamino]methylphosphonic acid
InChI:
InChI=1S/C5H17N2O9P3/c8-17(9,10)3-6-1-2-7(4-18(11,12)13)5-19(14,15)16/h6H,1-5H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
InChI Key:
ILWQXMUQBVWDNK-UHFFFAOYSA-N
SMILES:
OP(=O)(CNCCN(CP(=O)(O)O)CP(=O)(O)O)O
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
342.117g/mol
Monoisotopic Mass:
342.015g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.9
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