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Home > Nitro Compounds > 10065-45-9
10065-45-9 | L-Aspartic acid, 4-[(2-nitrophenyl)methyl] ester
CAS No: 10065-45-9 Catalog No: AG0002L3 MDL No:
Product Description
Catalog Number:
AG0002L3
Chemical Name:
L-Aspartic acid, 4-[(2-nitrophenyl)methyl] ester
CAS Number:
10065-45-9
Molecular Formula:
C11H11N2O6-
Molecular Weight:
267.2148
IUPAC Name:
(2S)-2-amino-4-[(2-nitrophenyl)methoxy]-4-oxobutanoate
InChI:
InChI=1S/C11H12N2O6/c12-8(11(15)16)5-10(14)19-6-7-3-1-2-4-9(7)13(17)18/h1-4,8H,5-6,12H2,(H,15,16)/p-1/t8-/m0/s1
InChI Key:
REELKPXYKDONSQ-QMMMGPOBSA-M
SMILES:
O=C(C[C@@H](C(=O)[O-])N)OCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.062g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.217g/mol
Monoisotopic Mass:
267.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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