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856451-85-9 | 7-Quinolinecarboxylic acid, 8-hydroxy-2-methyl-, monohydrate
CAS No: 856451-85-9 Catalog No: AG0050YH MDL No:
Product Description
Catalog Number:
AG0050YH
Chemical Name:
7-Quinolinecarboxylic acid, 8-hydroxy-2-methyl-, monohydrate
CAS Number:
856451-85-9
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
8-hydroxy-2-methylquinoline-7-carboxylic acid;hydrate
InChI:
InChI=1S/C11H9NO3.H2O/c1-6-2-3-7-4-5-8(11(14)15)10(13)9(7)12-6;/h2-5,13H,1H3,(H,14,15);1H2
InChI Key:
NJEPURPXIYZMGL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(O)c(cc2)C(=O)O.O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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