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114199-94-9 | Glycine, N-[2-(carboxymethoxy)-5-fluorophenyl]-N-(carboxymethyl)-
CAS No: 114199-94-9 Catalog No: AG000ASF MDL No:
Product Description
Catalog Number:
AG000ASF
Chemical Name:
Glycine, N-[2-(carboxymethoxy)-5-fluorophenyl]-N-(carboxymethyl)-
CAS Number:
114199-94-9
Molecular Formula:
C12H12FNO7
Molecular Weight:
301.2246
IUPAC Name:
2-[2-(carboxymethoxy)-N-(carboxymethyl)-5-fluoroanilino]acetic acid
InChI:
InChI=1S/C12H12FNO7/c13-7-1-2-9(21-6-12(19)20)8(3-7)14(4-10(15)16)5-11(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18)(H,19,20)
InChI Key:
LGLJEJDKAGNQPY-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1N(CC(=O)O)CC(=O)O)F
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.226g/mol
Monoisotopic Mass:
301.06g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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