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114199-96-1 | Glycine, N-[2-(carboxymethoxy)-4-fluoro-5-methylphenyl]-N-(carboxymethyl)-
CAS No: 114199-96-1 Catalog No: AG000ASE MDL No:
Product Description
Catalog Number:
AG000ASE
Chemical Name:
Glycine, N-[2-(carboxymethoxy)-4-fluoro-5-methylphenyl]-N-(carboxymethyl)-
CAS Number:
114199-96-1
Molecular Formula:
C13H14FNO7
Molecular Weight:
315.2512
IUPAC Name:
2-[2-(carboxymethoxy)-N-(carboxymethyl)-4-fluoro-5-methylanilino]acetic acid
InChI:
InChI=1S/C13H14FNO7/c1-7-2-9(15(4-11(16)17)5-12(18)19)10(3-8(7)14)22-6-13(20)21/h2-3H,4-6H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChI Key:
FHKUMSMYYZZFPK-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(F)c(cc1N(CC(=O)O)CC(=O)O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.253g/mol
Monoisotopic Mass:
315.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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