Home Other Building Blocks 2-[(4-hydroxyquinolin-3-yl)formamido]acetic acid

2-[(4-hydroxyquinolin-3-yl)formamido]acetic acid

CAS No.:
1087792-60-6
Catalog Number:
AG019N5N
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
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Product Description
Catalog Number:
AG019N5N
Chemical Name:
2-[(4-hydroxyquinolin-3-yl)formamido]acetic acid
CAS Number:
1087792-60-6
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD11505445
IUPAC Name:
2-[(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
InChI:
InChI=1S/C12H10N2O4/c15-10(16)6-14-12(18)8-5-13-9-4-2-1-3-7(9)11(8)17/h1-5H,6H2,(H,13,17)(H,14,18)(H,15,16)
InChI Key:
BWWCXCZXHAOMCL-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cnc2c(c1O)cccc2
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties