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132210-25-4 | 4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, hydrochloride (1:2)
CAS No: 132210-25-4 Catalog No: AG0010EJ MDL No:MFCD19440796
Product Description
Catalog Number:
AG0010EJ
Chemical Name:
4-Quinolinepropanoic acid, α-amino-1,2-dihydro-2-oxo-, hydrochloride (1:2)
CAS Number:
132210-25-4
Molecular Formula:
C12H14Cl2N2O3
Molecular Weight:
305.1572
MDL Number:
MFCD19440796
IUPAC Name:
2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;dihydrochloride
InChI:
InChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);2*1H
InChI Key:
KQVSXYDHVMTBAL-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cc(=O)[nH]c2c1cccc2)N.Cl.Cl
Properties
Complexity:
365
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:
4
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:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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