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1123191-88-7 | rac (8-Hydroxyquinolin-3-yl)alanine Dihydrochloride
CAS No: 1123191-88-7 Catalog No: AG0082SD MDL No:
Product Description
Catalog Number:
AG0082SD
Chemical Name:
rac (8-Hydroxyquinolin-3-yl)alanine Dihydrochloride
CAS Number:
1123191-88-7
Molecular Formula:
C12H14Cl2N2O3
Molecular Weight:
305.1572
IUPAC Name:
2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid;dihydrochloride
InChI:
InChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7;;/h1-4,6,9,15H,5,13H2,(H,16,17);2*1H
InChI Key:
YWOXMKIPAOEJMF-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cnc2c(c1)cccc2O)N.Cl.Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
305.155g/mol
Monoisotopic Mass:
304.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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