Home Other Building Blocks 4-hydroxy-4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)butanoic acid

4-hydroxy-4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)butanoic acid

CAS No.:
64462-98-2
Catalog Number:
AG01AC5M
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
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Product Description
Catalog Number:
AG01AC5M
Chemical Name:
4-hydroxy-4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)butanoic acid
CAS Number:
64462-98-2
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD11537848
IUPAC Name:
4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
InChI:
InChI=1S/C13H15NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3,7,11,15H,2,4-6H2,(H,14,16)(H,17,18)
InChI Key:
BZUPALUDUDLLQA-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccc2c(c1)CCC(=O)N2)O
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties