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834860-98-9 | Glycine, N-(carboxymethyl)-N-[2-[(4-nitrobenzoyl)oxy]ethyl]-
CAS No: 834860-98-9 Catalog No: AG004V9M MDL No:
Product Description
Catalog Number:
AG004V9M
Chemical Name:
Glycine, N-(carboxymethyl)-N-[2-[(4-nitrobenzoyl)oxy]ethyl]-
CAS Number:
834860-98-9
Molecular Formula:
C13H14N2O8
Molecular Weight:
326.2589
IUPAC Name:
2-[carboxymethyl-[2-(4-nitrobenzoyl)oxyethyl]amino]acetic acid
InChI:
InChI=1S/C13H14N2O8/c16-11(17)7-14(8-12(18)19)5-6-23-13(20)9-1-3-10(4-2-9)15(21)22/h1-4H,5-8H2,(H,16,17)(H,18,19)
InChI Key:
HKWOTMOYJLFVAI-UHFFFAOYSA-N
SMILES:
OC(=O)CN(CC(=O)O)CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.261g/mol
Monoisotopic Mass:
326.075g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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