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Home > Nitro Compounds > 1655-48-7
1655-48-7 | Glutamic acid, N-(2,4-dinitrophenyl)-
CAS No: 1655-48-7 Catalog No: AG001W6I MDL No:
Product Description
Catalog Number:
AG001W6I
Chemical Name:
Glutamic acid, N-(2,4-dinitrophenyl)-
CAS Number:
1655-48-7
Molecular Formula:
C11H11N3O8
Molecular Weight:
313.2203
IUPAC Name:
2-(2,4-dinitroanilino)pentanedioic acid
InChI:
InChI=1S/C11H11N3O8/c15-10(16)4-3-8(11(17)18)12-7-2-1-6(13(19)20)5-9(7)14(21)22/h1-2,5,8,12H,3-4H2,(H,15,16)(H,17,18)
InChI Key:
NZBKHTRVUNPZEN-UHFFFAOYSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
216-736-2
NSC Number:
89619
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.055g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
313.222g/mol
Monoisotopic Mass:
313.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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