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114023-39-1 | Phosphonic acid, [1-amino-2-(methylsulfinyl)ethyl]- (9CI)
CAS No: 114023-39-1 Catalog No: AG000ABW MDL No:
Product Description
Catalog Number:
AG000ABW
Chemical Name:
Phosphonic acid, [1-amino-2-(methylsulfinyl)ethyl]- (9CI)
CAS Number:
114023-39-1
Molecular Formula:
C3H10NO4PS
Molecular Weight:
187.1546
IUPAC Name:
(1-amino-2-methylsulfinylethyl)phosphonic acid
InChI:
InChI=1S/C3H10NO4PS/c1-10(8)2-3(4)9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
InChI Key:
YOAWFLUSTUMHAY-UHFFFAOYSA-N
SMILES:
CS(=O)CC(P(=O)(O)O)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.007g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.15g/mol
Monoisotopic Mass:
187.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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