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113592-13-5 | Propanoic acid, 3-[(1-aminoethyl)hydroxyphosphinyl]-
CAS No: 113592-13-5 Catalog No: AG00093O MDL No:
Product Description
Catalog Number:
AG00093O
Chemical Name:
Propanoic acid, 3-[(1-aminoethyl)hydroxyphosphinyl]-
CAS Number:
113592-13-5
Molecular Formula:
C5H12NO4P
Molecular Weight:
181.1268
IUPAC Name:
3-[1-aminoethyl(hydroxy)phosphoryl]propanoic acid
InChI:
InChI=1S/C5H12NO4P/c1-4(6)11(9,10)3-2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
InChI Key:
CXDZNCNRYCJVBG-UHFFFAOYSA-N
SMILES:
CC(P(=O)(CCC(=O)O)O)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.128g/mol
Monoisotopic Mass:
181.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3
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