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168172-61-0 | L-Aspartic acid, N-(2-quinolinylcarbonyl)-
CAS No: 168172-61-0 Catalog No: AG001XWE MDL No:
Product Description
Catalog Number:
AG001XWE
Chemical Name:
L-Aspartic acid, N-(2-quinolinylcarbonyl)-
CAS Number:
168172-61-0
Molecular Formula:
C14H12N2O5
Molecular Weight:
288.2555
IUPAC Name:
(2S)-2-(quinoline-2-carbonylamino)butanedioic acid
InChI:
InChI=1S/C14H12N2O5/c17-12(18)7-11(14(20)21)16-13(19)10-6-5-8-3-1-2-4-9(8)15-10/h1-6,11H,7H2,(H,16,19)(H,17,18)(H,20,21)/t11-/m0/s1
InChI Key:
XSTGJOKRGAVFTD-NSHDSACASA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)c1ccc2c(n1)cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.259g/mol
Monoisotopic Mass:
288.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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