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Home > Nitro Compounds > 88879-44-1
88879-44-1 | L-Aspartic acid, 4-(4-nitrophenyl) ester
CAS No: 88879-44-1 Catalog No: AG0049JN MDL No:
Product Description
Catalog Number:
AG0049JN
Chemical Name:
L-Aspartic acid, 4-(4-nitrophenyl) ester
CAS Number:
88879-44-1
Molecular Formula:
C10H9N2O6-
Molecular Weight:
253.1883
IUPAC Name:
2-amino-4-(4-nitrophenoxy)-4-oxobutanoate
InChI:
InChI=1S/C10H10N2O6/c11-8(10(14)15)5-9(13)18-7-3-1-6(2-4-7)12(16)17/h1-4,8H,5,11H2,(H,14,15)/p-1
InChI Key:
FSENYTJLCWCRHZ-UHFFFAOYSA-M
SMILES:
O=C(C[C@@H](C(=O)[O-])N)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.046g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.19g/mol
Monoisotopic Mass:
253.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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