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Home > Indoles and Oxindole > 834894-52-9
834894-52-9 | L-Aspartic acid, N-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-
CAS No: 834894-52-9 Catalog No: AG0059DD MDL No:
Product Description
Catalog Number:
AG0059DD
Chemical Name:
L-Aspartic acid, N-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-
CAS Number:
834894-52-9
Molecular Formula:
C18H14N2O6
Molecular Weight:
354.3136
IUPAC Name:
(2S)-2-[4-(1,3-dioxoisoindol-2-yl)anilino]butanedioic acid
InChI:
InChI=1S/C18H14N2O6/c21-15(22)9-14(18(25)26)19-10-5-7-11(8-6-10)20-16(23)12-3-1-2-4-13(12)17(20)24/h1-8,14,19H,9H2,(H,21,22)(H,25,26)/t14-/m0/s1
InChI Key:
GZMVVQWJSGTUSE-AWEZNQCLSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)Nc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
354.085g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.318g/mol
Monoisotopic Mass:
354.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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