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89222-16-2 | Butanoic acid, 2-amino-4-[hydroxy(phenylmethyl)phosphinyl]-
CAS No: 89222-16-2 Catalog No: AG0043XI MDL No:
Product Description
Catalog Number:
AG0043XI
Chemical Name:
Butanoic acid, 2-amino-4-[hydroxy(phenylmethyl)phosphinyl]-
CAS Number:
89222-16-2
Molecular Formula:
C11H16NO4P
Molecular Weight:
257.2228
IUPAC Name:
2-amino-4-[benzyl(hydroxy)phosphoryl]butanoic acid
InChI:
InChI=1S/C11H16NO4P/c12-10(11(13)14)6-7-17(15,16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)
InChI Key:
KHOAJZRQZXSMSC-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCP(=O)(Cc1ccccc1)O)N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.226g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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