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88949-59-1 | Glycine, N-(carboxymethyl)-N-[2-[(2-nitrophenyl)amino]-2-oxoethyl]-
CAS No: 88949-59-1 Catalog No: AG00487D MDL No:
Product Description
Catalog Number:
AG00487D
Chemical Name:
Glycine, N-(carboxymethyl)-N-[2-[(2-nitrophenyl)amino]-2-oxoethyl]-
CAS Number:
88949-59-1
Molecular Formula:
C12H13N3O7
Molecular Weight:
311.2475
IUPAC Name:
2-[carboxymethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
InChI:
InChI=1S/C12H13N3O7/c16-10(5-14(6-11(17)18)7-12(19)20)13-8-3-1-2-4-9(8)15(21)22/h1-4H,5-7H2,(H,13,16)(H,17,18)(H,19,20)
InChI Key:
QJWAQDSILRVHAW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])CN(CC(=O)O)CC(=O)O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.25g/mol
Monoisotopic Mass:
311.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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