Home Other Building Blocks 4-Quinolineacetic acid,1,2,3,4-tetrahydro-2-oxo-

4-Quinolineacetic acid,1,2,3,4-tetrahydro-2-oxo-

CAS No.:
5322-05-4
Catalog Number:
AG01C97S
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01C97S
Chemical Name:
4-Quinolineacetic acid,1,2,3,4-tetrahydro-2-oxo-
CAS Number:
5322-05-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD19370242
IUPAC Name:
2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
InChI:
InChI=1S/C11H11NO3/c13-10-5-7(6-11(14)15)8-3-1-2-4-9(8)12-10/h1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChI Key:
NNHOCNIVPRRFFB-UHFFFAOYSA-N
SMILES:
O=C1CC(CC(=O)O)c2c(N1)cccc2
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties