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141516-08-7 | Butanoic acid, 3-amino-3-(hydroxyphenylphosphinyl)-, methyl ester (9CI)
CAS No: 141516-08-7 Catalog No: AG001GJD MDL No:
Product Description
Catalog Number:
AG001GJD
Chemical Name:
Butanoic acid, 3-amino-3-(hydroxyphenylphosphinyl)-, methyl ester (9CI)
CAS Number:
141516-08-7
Molecular Formula:
C11H16NO4P
Molecular Weight:
257.2228
IUPAC Name:
(2-amino-4-methoxy-4-oxobutan-2-yl)-phenylphosphinic acid
InChI:
InChI=1S/C11H16NO4P/c1-11(12,8-10(13)16-2)17(14,15)9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,14,15)
InChI Key:
IITUWNNVUVHDKQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(P(=O)(c1ccccc1)O)(N)C
Properties
Complexity:
327
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:
2
Isotope Atom Count:
0
Molecular Weight:
257.226g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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