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191475-86-2 | L-Aspartic acid, N-methyl-, 4-[carboxy(2-nitrophenyl)methyl] ester
CAS No: 191475-86-2 Catalog No: AG002F9J MDL No:
Product Description
Catalog Number:
AG002F9J
Chemical Name:
L-Aspartic acid, N-methyl-, 4-[carboxy(2-nitrophenyl)methyl] ester
CAS Number:
191475-86-2
Molecular Formula:
C13H13N2O8-
Molecular Weight:
325.2509
IUPAC Name:
(2S)-4-[carboxy-(2-nitrophenyl)methoxy]-2-(methylamino)-4-oxobutanoate
InChI:
InChI=1S/C13H14N2O8/c1-14-8(12(17)18)6-10(16)23-11(13(19)20)7-4-2-3-5-9(7)15(21)22/h2-5,8,11,14H,6H2,1H3,(H,17,18)(H,19,20)/p-1/t8-,11?/m0/s1
InChI Key:
HNRHLVPLECMDMI-YMNIQAILSA-M
SMILES:
CN[C@H](C(=O)[O-])CC(=O)OC(c1ccccc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.067g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.253g/mol
Monoisotopic Mass:
325.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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