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125319-03-1 | Benzoic acid, 3-[[hydroxy[[(2-phenylacetyl)amino]methyl]phosphinyl]oxy]-
CAS No: 125319-03-1 Catalog No: AG000NHC MDL No:
Product Description
Catalog Number:
AG000NHC
Chemical Name:
Benzoic acid, 3-[[hydroxy[[(2-phenylacetyl)amino]methyl]phosphinyl]oxy]-
CAS Number:
125319-03-1
Molecular Formula:
C16H16NO6P
Molecular Weight:
349.2751
IUPAC Name:
3-[hydroxy-[[(2-phenylacetyl)amino]methyl]phosphoryl]oxybenzoic acid
InChI:
InChI=1S/C16H16NO6P/c18-15(9-12-5-2-1-3-6-12)17-11-24(21,22)23-14-8-4-7-13(10-14)16(19)20/h1-8,10H,9,11H2,(H,17,18)(H,19,20)(H,21,22)
InChI Key:
PQNMYMXNEUQFAJ-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)NCP(=O)(Oc1cccc(c1)C(=O)O)O
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.072g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.279g/mol
Monoisotopic Mass:
349.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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