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113578-98-6 | Phosphonic acid, (2,3-dihydroxypropyl)-, mono(2-aminoethyl) ester (9CI)
CAS No: 113578-98-6 Catalog No: AG00092B MDL No:
Product Description
Catalog Number:
AG00092B
Chemical Name:
Phosphonic acid, (2,3-dihydroxypropyl)-, mono(2-aminoethyl) ester (9CI)
CAS Number:
113578-98-6
Molecular Formula:
C5H13NO5P-
Molecular Weight:
198.1342
IUPAC Name:
2-aminoethoxy(2,3-dihydroxypropyl)phosphinate
InChI:
InChI=1S/C5H14NO5P/c6-1-2-11-12(9,10)4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/p-1
InChI Key:
ZVUQQMSCLOCQHZ-UHFFFAOYSA-M
SMILES:
NCCOP(=O)(CC(CO)O)[O-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.053g/mol
Formal Charge:
-1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.135g/mol
Monoisotopic Mass:
198.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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