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123761-12-6 | 2-Quinolinepropanoic acid, α-amino-
CAS No: 123761-12-6 Catalog No: AG000L1U MDL No:
Product Description
Catalog Number:
AG000L1U
Chemical Name:
2-Quinolinepropanoic acid, α-amino-
CAS Number:
123761-12-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2-amino-3-quinolin-2-ylpropanoic acid
InChI:
InChI=1S/C12H12N2O2/c13-10(12(15)16)7-9-6-5-8-3-1-2-4-11(8)14-9/h1-6,10H,7,13H2,(H,15,16)
InChI Key:
CRSSRGSNAKKNNI-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc2c(n1)cccc2)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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